(2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide

C17H21N3O3S — CID 41024071

IUPAC(2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide
SMILESCc1ccc(C)c(N[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C17H21N3O3S/c1-11-7-8-12(2)16(9-11)19-13(3)17(21)20-14-5-4-6-15(10-14)24(18,22)23/h4-10,13,19H,1-3H3,(H,20,21)(H2,18,22,23)/t13-/m1/s1
InChIKeyYMLMKJUUSTVVQF-CYBMUJFWSA-N
MW347.44 g/mol
LogP2.39
Rot. Bonds5

About (2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide

(2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 41024071) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide
PubChem CID41024071
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide
SMILESCc1ccc(C)c(N[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C17H21N3O3S/c1-11-7-8-12(2)16(9-11)19-13(3)17(21)20-14-5-4-6-15(10-14)24(18,22)23/h4-10,13,19H,1-3H3,(H,20,21)(H2,18,22,23)/t13-/m1/s1
InChIKeyYMLMKJUUSTVVQF-CYBMUJFWSA-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

(2S)-2-(2-methoxy-5-methylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 25355632
2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 55629768
N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide
CID 17428772
(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
CID 41074647
2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42911852
2-(4,5-dimethoxy-2-methylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 47005946
(2R)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274940
(2S)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274937
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide (CID 41024071) is (2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide is Cc1ccc(C)c(N[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of (2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is YMLMKJUUSTVVQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11-7-8-12(2)16(9-11)19-13(3)17(21)20-14-5-4-6-15(10-14)24(18,22)23/h4-10,13,19H,1-3H3,(H,20,21)(H2,18,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide?
(2R)-2-(2,5-dimethylanilino)-N-(3-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 (2R)-2-(2,5-dimethylanilino)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 41024071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).