N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide

C21H22N4O3S — CID 2915170

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC(C)c3ccccc3)cc2)n1
InChIInChI=1S/C21H22N4O3S/c1-15(17-6-4-3-5-7-17)14-20(26)24-18-8-10-19(11-9-18)29(27,28)25-21-22-13-12-16(2)23-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyPYSLSHYZMGMNRC-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.72
Rot. Bonds7

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide (PubChem CID 2915170) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide
PubChem CID2915170
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC(C)c3ccccc3)cc2)n1
InChIInChI=1S/C21H22N4O3S/c1-15(17-6-4-3-5-7-17)14-20(26)24-18-8-10-19(11-9-18)29(27,28)25-21-22-13-12-16(2)23-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyPYSLSHYZMGMNRC-UHFFFAOYSA-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 N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide (CID 2915170) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC(C)c3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide?
The InChIKey is PYSLSHYZMGMNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-15(17-6-4-3-5-7-17)14-20(26)24-18-8-10-19(11-9-18)29(27,28)25-21-22-13-12-16(2)23-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-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 N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide is sourced from PubChem (CID 2915170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).