(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide

C19H23N3O4S — CID 2234672

IUPAC(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-5-11-18(12-6-13)22(27(4,25)26)14(2)19(24)21-17-9-7-16(8-10-17)20-15(3)23/h5-12,14H,1-4H3,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyJVQMJSIXZBPIAE-CQSZACIVSA-N
MW389.48 g/mol
LogP2.75
Rot. Bonds6

About (2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide

(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 2234672) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID2234672
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-5-11-18(12-6-13)22(27(4,25)26)14(2)19(24)21-17-9-7-16(8-10-17)20-15(3)23/h5-12,14H,1-4H3,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyJVQMJSIXZBPIAE-CQSZACIVSA-N
XLogP2.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,4-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126386869
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 1320042
2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 2964511
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
2-(4-methyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166804
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126412221
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126416687
(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126384834
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124550781
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126413930
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234263

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 2234672) is (2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is JVQMJSIXZBPIAE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-5-11-18(12-6-13)22(27(4,25)26)14(2)19(24)21-17-9-7-16(8-10-17)20-15(3)23/h5-12,14H,1-4H3,(H,20,23)(H,21,24)/t14-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 389.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2234672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).