2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide

C17H21N3O3S — CID 42911852

IUPAC2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C17H21N3O3S/c1-11-4-5-15(10-12(11)2)19-13(3)17(21)20-14-6-8-16(9-7-14)24(18,22)23/h4-10,13,19H,1-3H3,(H,20,21)(H2,18,22,23)
InChIKeyGJJGVMMWYUNDKL-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.39
Rot. Bonds5

About 2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide

2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 42911852) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
PubChem CID42911852
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C17H21N3O3S/c1-11-4-5-15(10-12(11)2)19-13(3)17(21)20-14-6-8-16(9-7-14)24(18,22)23/h4-10,13,19H,1-3H3,(H,20,21)(H2,18,22,23)
InChIKeyGJJGVMMWYUNDKL-UHFFFAOYSA-N
XLogP2.39
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912015
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912001
2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 47005946
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
(2S)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 25342725
(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 7777353
2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide
CID 25385544
2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 4787331
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 8008354
(2R)-N-(4-sulfamoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
CID 2455935

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide (CID 42911852) is 2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide is Cc1ccc(NC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is GJJGVMMWYUNDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11-4-5-15(10-12(11)2)19-13(3)17(21)20-14-6-8-16(9-7-14)24(18,22)23/h4-10,13,19H,1-3H3,(H,20,21)(H2,18,22,23).
What are the key properties of 2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide?
2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 42911852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).