(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide

C16H19N3O4S — CID 7777353

IUPAC(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19N3O4S/c1-11(18-14-5-3-4-6-15(14)23-2)16(20)19-12-7-9-13(10-8-12)24(17,21)22/h3-11,18H,1-2H3,(H,19,20)(H2,17,21,22)/t11-/m0/s1
InChIKeyXEVJEMSDWGTGBO-NSHDSACASA-N
MW349.41 g/mol
LogP1.78
Rot. Bonds6

About (2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide

(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 7777353) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is (2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
PubChem CID7777353
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19N3O4S/c1-11(18-14-5-3-4-6-15(14)23-2)16(20)19-12-7-9-13(10-8-12)24(17,21)22/h3-11,18H,1-2H3,(H,19,20)(H2,17,21,22)/t11-/m0/s1
InChIKeyXEVJEMSDWGTGBO-NSHDSACASA-N
XLogP1.78
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 47005946
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 8008354
2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 4787331
(2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide
CID 30825134
2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656
(2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 25355632
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42911852
2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 20970585
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)butan-2-yl]benzamide
CID 9034878

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide (CID 7777353) is (2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide is COc1ccccc1N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is XEVJEMSDWGTGBO-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11(18-14-5-3-4-6-15(14)23-2)16(20)19-12-7-9-13(10-8-12)24(17,21)22/h3-11,18H,1-2H3,(H,19,20)(H2,17,21,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide?
(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 349.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 7777353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).