2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide

C23H29N3O6S — CID 654623

IUPAC2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O6S/c1-31-19-11-9-18(10-12-19)14-24-22(27)17-26(16-20-6-5-13-32-20)23(28)15-25-33(29,30)21-7-3-2-4-8-21/h2-4,7-12,20,25H,5-6,13-17H2,1H3,(H,24,27)
InChIKeyHNAVSMCHFPTNRC-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.30
Rot. Bonds11

About 2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide

2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 654623) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID654623
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O6S/c1-31-19-11-9-18(10-12-19)14-24-22(27)17-26(16-20-6-5-13-32-20)23(28)15-25-33(29,30)21-7-3-2-4-8-21/h2-4,7-12,20,25H,5-6,13-17H2,1H3,(H,24,27)
InChIKeyHNAVSMCHFPTNRC-UHFFFAOYSA-N
XLogP1.30
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-hydroxy-2-[[4-methoxybenzenesulfonyl](4-methoxybenzyl)amino]acetamide
CID 10691191
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[2-methoxyethyl-[(3S)-oxolan-3-yl]amino]acetamide
CID 134815547
(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-(4-fluorophenyl)sulfonylamino]-4-methylpentanamide
CID 71460555
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4877419
N-[(4-Methylphenyl)methyl]-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 1359124
1-[2-(4-methoxyphenyl)-3-(phenylsulfonyl)tetrahydropyrimidin-1(2H)-yl]-2-(pyrrolidin-1-yl)ethanone
CID 5298657
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
CID 134815255
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[2-methoxyethyl-[(3R)-oxolan-3-yl]amino]acetamide
CID 134815337
2-[[2-[[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]amino]-2-oxoethyl]-[(3S)-oxolan-3-yl]amino]acetamide
CID 134815482
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[[(3R)-oxolan-3-yl]amino]acetamide
CID 134815561
1-[(4-Methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea
CID 821106

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (CID 654623) is 2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HNAVSMCHFPTNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-31-19-11-9-18(10-12-19)14-24-22(27)17-26(16-20-6-5-13-32-20)23(28)15-25-33(29,30)21-7-3-2-4-8-21/h2-4,7-12,20,25H,5-6,13-17H2,1H3,(H,24,27).
What are the key properties of 2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 475.57 g/mol, XLogP of 1.30, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 654623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).