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

C17H20N2O4S — CID 40534613

IUPAC(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-4-10-16(11-5-12)24(21,22)19-13(2)17(20)18-14-6-8-15(23-3)9-7-14/h4-11,13,19H,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyYKLYEQNIEJGYHU-ZDUSSCGKSA-N
MW348.42 g/mol
LogP2.31
Rot. Bonds6

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

(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 40534613) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID40534613
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-4-10-16(11-5-12)24(21,22)19-13(2)17(20)18-14-6-8-15(23-3)9-7-14/h4-11,13,19H,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyYKLYEQNIEJGYHU-ZDUSSCGKSA-N
XLogP2.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473390
(2R)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473389
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 5253893
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2R)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 1210914
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
S-(4-methoxyphenyl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanethioate
CID 139607753

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 40534613) is (2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is YKLYEQNIEJGYHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-4-10-16(11-5-12)24(21,22)19-13(2)17(20)18-14-6-8-15(23-3)9-7-14/h4-11,13,19H,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 348.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 40534613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).