(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide

C21H22N4O3S — CID 1273275

IUPAC(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C21H22N4O3S/c1-3-19(16-7-5-4-6-8-16)20(26)24-17-9-11-18(12-10-17)29(27,28)25-21-22-14-13-15(2)23-21/h4-14,19H,3H2,1-2H3,(H,24,26)(H,22,23,25)/t19-/m1/s1
InChIKeyQWJSSJJUBFTSEB-LJQANCHMSA-N
MW410.50 g/mol
LogP3.72
Rot. Bonds7

About (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide

(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide (PubChem CID 1273275) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
PubChem CID1273275
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C21H22N4O3S/c1-3-19(16-7-5-4-6-8-16)20(26)24-17-9-11-18(12-10-17)29(27,28)25-21-22-14-13-15(2)23-21/h4-14,19H,3H2,1-2H3,(H,24,26)(H,22,23,25)/t19-/m1/s1
InChIKeyQWJSSJJUBFTSEB-LJQANCHMSA-N
XLogP3.72
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)butanamide
CID 43908051
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 17147291
(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 92672537
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 28570993
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 99943631
(2R)-2-(4-methylphenyl)sulfanyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 94012347
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 99942502
[1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
CID 25038111
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 94864383

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide (CID 1273275) is (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide?
The InChIKey is QWJSSJJUBFTSEB-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-3-19(16-7-5-4-6-8-16)20(26)24-17-9-11-18(12-10-17)29(27,28)25-21-22-14-13-15(2)23-21/h4-14,19H,3H2,1-2H3,(H,24,26)(H,22,23,25)/t19-/m1/s1.
What are the key properties of (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide?
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide has a molecular weight of 410.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 1273275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).