N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide

C142H179N15O17S2 — CID 162186185

IUPACN-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccncc1)Cc1ccc2occc2c1.CC(C)CN(CCCN(CCc1cccnc1)C(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(CCc1cccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CNCc1ccc2occc2c1.Cc1cncc(CNCc2ccc3occc3c2)c1
InChIInChI=1S/C29H31N3O4.C29H39N3O3.C28H39N3O4S.C27H37N3O4S.C16H16N2O.C13H17NO/c1-29(2,3)36-28(34)31-25(18-21-7-5-4-6-8-21)27(33)32(19-22-11-14-30-15-12-22)20-23-9-10-26-24(17-23)13-16-35-26;1-22(2)21-32(27(33)19-29(3,4)5)15-7-14-31(16-11-23-8-6-13-30-20-23)28(34)25-9-10-26-24(18-25)12-17-35-26;1-22(2)21-30(27(32)19-28(3,4)5)14-7-15-31(16-11-23-8-6-13-29-20-23)36(33,34)25-9-10-26-24(18-25)12-17-35-26;1-21(2)19-29(26(31)17-27(3,4)5)13-7-14-30(20-22-8-6-12-28-18-22)35(32,33)24-9-10-25-23(16-24)11-15-34-25;1-12-6-14(10-17-8-12)11-18-9-13-2-3-16-15(7-13)4-5-19-16;1-10(2)8-14-9-11-3-4-13-12(7-11)5-6-15-13/h4-17,25H,18-20H2,1-3H3,(H,31,34);6,8-10,12-13,17-18,20,22H,7,11,14-16,19,21H2,1-5H3;6,8-10,12-13,17-18,20,22H,7,11,14-16,19,21H2,1-5H3;6,8-12,15-16,18,21H,7,13-14,17,19-20H2,1-5H3;2-8,10,18H,9,11H2,1H3;3-7,10,14H,8-9H2,1-2H3/t25-;;;;;/m1...../s1
InChIKeyZPRJQFIKFDITOQ-PZHSBIEDSA-N
MW2432.22 g/mol
LogP28.62
Rot. Bonds50

About N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide

N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide (PubChem CID 162186185) has the molecular formula C142H179N15O17S2 and a molecular weight of 2432.22 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide
PubChem CID162186185
Molecular FormulaC142H179N15O17S2
Molecular Weight2432.22 g/mol
Exact Mass2430.30
IUPAC NameN-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccncc1)Cc1ccc2occc2c1.CC(C)CN(CCCN(CCc1cccnc1)C(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(CCc1cccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CNCc1ccc2occc2c1.Cc1cncc(CNCc2ccc3occc3c2)c1
InChIInChI=1S/C29H31N3O4.C29H39N3O3.C28H39N3O4S.C27H37N3O4S.C16H16N2O.C13H17NO/c1-29(2,3)36-28(34)31-25(18-21-7-5-4-6-8-21)27(33)32(19-22-11-14-30-15-12-22)20-23-9-10-26-24(17-23)13-16-35-26;1-22(2)21-32(27(33)19-29(3,4)5)15-7-14-31(16-11-23-8-6-13-30-20-23)28(34)25-9-10-26-24(18-25)12-17-35-26;1-22(2)21-30(27(32)19-28(3,4)5)14-7-15-31(16-11-23-8-6-13-29-20-23)36(33,34)25-9-10-26-24(18-25)12-17-35-26;1-21(2)19-29(26(31)17-27(3,4)5)13-7-14-30(20-22-8-6-12-28-18-22)35(32,33)24-9-10-25-23(16-24)11-15-34-25;1-12-6-14(10-17-8-12)11-18-9-13-2-3-16-15(7-13)4-5-19-16;1-10(2)8-14-9-11-3-4-13-12(7-11)5-6-15-13/h4-17,25H,18-20H2,1-3H3,(H,31,34);6,8-10,12-13,17-18,20,22H,7,11,14-16,19,21H2,1-5H3;6,8-10,12-13,17-18,20,22H,7,11,14-16,19,21H2,1-5H3;6,8-12,15-16,18,21H,7,13-14,17,19-20H2,1-5H3;2-8,10,18H,9,11H2,1H3;3-7,10,14H,8-9H2,1-2H3/t25-;;;;;/m1...../s1
InChIKeyZPRJQFIKFDITOQ-PZHSBIEDSA-N
XLogP28.62
TPSA381.99 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds50
Heavy Atoms176
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002432.22
LogP ≤ 528.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide?
The IUPAC name of N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide (CID 162186185) is N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccncc1)Cc1ccc2occc2c1.CC(C)CN(CCCN(CCc1cccnc1)C(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(CCc1cccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CNCc1ccc2occc2c1.Cc1cncc(CNCc2ccc3occc3c2)c1.
What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide?
The InChIKey is ZPRJQFIKFDITOQ-PZHSBIEDSA-N. The full InChI is InChI=1S/C29H31N3O4.C29H39N3O3.C28H39N3O4S.C27H37N3O4S.C16H16N2O.C13H17NO/c1-29(2,3)36-28(34)31-25(18-21-7-5-4-6-8-21)27(33)32(19-22-11-14-30-15-12-22)20-23-9-10-26-24(17-23)13-16-35-26;1-22(2)21-32(27(33)19-29(3,4)5)15-7-14-31(16-11-23-8-6-13-30-20-23)28(34)25-9-10-26-24(18-25)12-17-35-26;1-22(2)21-30(27(32)19-28(3,4)5)14-7-15-31(16-11-23-8-6-13-29-20-23)36(33,34)25-9-10-26-24(18-25)12-17-35-26;1-21(2)19-29(26(31)17-27(3,4)5)13-7-14-30(20-22-8-6-12-28-18-22)35(32,33)24-9-10-25-23(16-24)11-15-34-25;1-12-6-14(10-17-8-12)11-18-9-13-2-3-16-15(7-13)4-5-19-16;1-10(2)8-14-9-11-3-4-13-12(7-11)5-6-15-13/h4-17,25H,18-20H2,1-3H3,(H,31,34);6,8-10,12-13,17-18,20,22H,7,11,14-16,19,21H2,1-5H3;6,8-10,12-13,17-18,20,22H,7,11,14-16,19,21H2,1-5H3;6,8-12,15-16,18,21H,7,13-14,17,19-20H2,1-5H3;2-8,10,18H,9,11H2,1H3;3-7,10,14H,8-9H2,1-2H3/t25-;;;;;/m1...../s1.
What are the key properties of N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide?
N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide has a molecular weight of 2432.22 g/mol, XLogP of 28.62, 50 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide is sourced from PubChem (CID 162186185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).