(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide

C19H22N4O4S — CID 7421558

IUPAC(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H22N4O4S/c1-13(23(28(4,26)27)15-8-6-5-7-9-15)18(24)20-14-10-11-16-17(12-14)22(3)19(25)21(16)2/h5-13H,1-4H3,(H,20,24)/t13-/m1/s1
InChIKeyAPBMMRXZLXYDGG-CYBMUJFWSA-N
MW402.48 g/mol
LogP1.67
Rot. Bonds5

About (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide

(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide (PubChem CID 7421558) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
PubChem CID7421558
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H22N4O4S/c1-13(23(28(4,26)27)15-8-6-5-7-9-15)18(24)20-14-10-11-16-17(12-14)22(3)19(25)21(16)2/h5-13H,1-4H3,(H,20,24)/t13-/m1/s1
InChIKeyAPBMMRXZLXYDGG-CYBMUJFWSA-N
XLogP1.67
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 40976069
(2R)-2-(N-methylsulfonylanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 100551756
(2S)-N-(4-bromophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 7012255
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2S)-N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1003077
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100534259
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(N-methylsulfonylanilino)propanamide
CID 93487520
(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100534077
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 49168885
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 125073549

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide (CID 7421558) is (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide is C[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is APBMMRXZLXYDGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-13(23(28(4,26)27)15-8-6-5-7-9-15)18(24)20-14-10-11-16-17(12-14)22(3)19(25)21(16)2/h5-13H,1-4H3,(H,20,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide?
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 402.48 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 7421558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).