(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide

C19H22N2O5S — CID 9270223

IUPAC(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(19(23)20-12-16-6-4-5-7-18(16)26-3)21-27(24,25)17-10-8-15(9-11-17)14(2)22/h4-11,13,21H,12H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyGJVKRKDSITUGEH-ZDUSSCGKSA-N
MW390.46 g/mol
LogP1.88
Rot. Bonds8

About (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide

(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 9270223) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID9270223
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(19(23)20-12-16-6-4-5-7-18(16)26-3)21-27(24,25)17-10-8-15(9-11-17)14(2)22/h4-11,13,21H,12H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyGJVKRKDSITUGEH-ZDUSSCGKSA-N
XLogP1.88
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722
(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301672
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105
(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939174
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261269
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
1-(4-acetylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649551
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
2-[(4-acetylphenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110408013

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide (CID 9270223) is (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is GJVKRKDSITUGEH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(19(23)20-12-16-6-4-5-7-18(16)26-3)21-27(24,25)17-10-8-15(9-11-17)14(2)22/h4-11,13,21H,12H2,1-3H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 390.46 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 9270223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).