N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C22H26N2O5S — CID 55633462

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C22H26N2O5S/c1-3-18-17(16-9-5-6-10-19(16)28-18)15-23(2)22(25)20-11-12-21(29-20)30(26,27)24-13-7-4-8-14-24/h5-6,9-12H,3-4,7-8,13-15H2,1-2H3
InChIKeyFBXUQKGKZAUYIS-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.03
Rot. Bonds6

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55633462) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55633462
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C22H26N2O5S/c1-3-18-17(16-9-5-6-10-19(16)28-18)15-23(2)22(25)20-11-12-21(29-20)30(26,27)24-13-7-4-8-14-24/h5-6,9-12H,3-4,7-8,13-15H2,1-2H3
InChIKeyFBXUQKGKZAUYIS-UHFFFAOYSA-N
XLogP4.03
TPSA83.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632364
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
CID 134031153
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892865
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55428710
3-benzyl-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylthiourea
CID 8563809
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
CID 119273988
N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide
CID 55984315
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 112825840
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78826569
1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 55687111

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55633462) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide is CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is FBXUQKGKZAUYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-3-18-17(16-9-5-6-10-19(16)28-18)15-23(2)22(25)20-11-12-21(29-20)30(26,27)24-13-7-4-8-14-24/h5-6,9-12H,3-4,7-8,13-15H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55633462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).