N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide

C23H32N2O4S — CID 55819003

IUPACN-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)C)o1
InChIInChI=1S/C23H32N2O4S/c1-18(2)25(17-21-11-7-19(3)29-21)23(26)14-10-20-8-12-22(13-9-20)30(27,28)24-15-5-4-6-16-24/h7-9,11-13,18H,4-6,10,14-17H2,1-3H3
InChIKeyPLDFAYBSUTVQAH-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.13
Rot. Bonds8

About N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide

N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide (PubChem CID 55819003) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide
PubChem CID55819003
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)C)o1
InChIInChI=1S/C23H32N2O4S/c1-18(2)25(17-21-11-7-19(3)29-21)23(26)14-10-20-8-12-22(13-9-20)30(27,28)24-15-5-4-6-16-24/h7-9,11-13,18H,4-6,10,14-17H2,1-3H3
InChIKeyPLDFAYBSUTVQAH-UHFFFAOYSA-N
XLogP4.13
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide
CID 55856871
(2S)-2-methyl-3-[methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanoic acid
CID 97234343
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55874025
N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 55990967
2-[(4-chlorophenyl)methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133149210
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-propan-2-yl-N-pyridin-3-ylpropanamide
CID 86847686
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27863741
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 46477648
(2R)-3-methyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]butanoic acid
CID 119368533
N-ethyl-N-(2-hydroxyethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 78855409
(4-propan-2-ylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 18283365

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide (CID 55819003) is N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide is Cc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide?
The InChIKey is PLDFAYBSUTVQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-18(2)25(17-21-11-7-19(3)29-21)23(26)14-10-20-8-12-22(13-9-20)30(27,28)24-15-5-4-6-16-24/h7-9,11-13,18H,4-6,10,14-17H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide?
N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide has a molecular weight of 432.59 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 55819003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).