(2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide

C17H21N3O4S — CID 25355632

IUPAC(2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide
SMILESCOc1ccc(C)cc1N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H21N3O4S/c1-11-7-8-16(24-3)15(9-11)19-12(2)17(21)20-13-5-4-6-14(10-13)25(18,22)23/h4-10,12,19H,1-3H3,(H,20,21)(H2,18,22,23)/t12-/m0/s1
InChIKeyOUCAABUOEQFDTG-LBPRGKRZSA-N
MW363.44 g/mol
LogP2.09
Rot. Bonds6

About (2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide

(2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 25355632) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide
PubChem CID25355632
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name(2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide
SMILESCOc1ccc(C)cc1N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H21N3O4S/c1-11-7-8-16(24-3)15(9-11)19-12(2)17(21)20-13-5-4-6-14(10-13)25(18,22)23/h4-10,12,19H,1-3H3,(H,20,21)(H2,18,22,23)/t12-/m0/s1
InChIKeyOUCAABUOEQFDTG-LBPRGKRZSA-N
XLogP2.09
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 41024071
(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 7777353
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 7467980
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
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylphenyl)propanamide
CID 5034274
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
3,5-dimethoxy-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 4241240
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide
CID 8978446
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8805412

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide (CID 25355632) is (2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide is COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is OUCAABUOEQFDTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-11-7-8-16(24-3)15(9-11)19-12(2)17(21)20-13-5-4-6-14(10-13)25(18,22)23/h4-10,12,19H,1-3H3,(H,20,21)(H2,18,22,23)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide?
(2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 363.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25355632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).