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

C19H24N4O3S — CID 1224874

IUPAC3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCC3)cc2)n1
InChIInChI=1S/C19H24N4O3S/c1-14-12-13-20-19(21-14)23-27(25,26)17-9-7-16(8-10-17)22-18(24)11-6-15-4-2-3-5-15/h7-10,12-13,15H,2-6,11H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyQRWNWYYTZAJXBV-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.49
Rot. Bonds7

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

3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 1224874) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID1224874
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCC3)cc2)n1
InChIInChI=1S/C19H24N4O3S/c1-14-12-13-20-19(21-14)23-27(25,26)17-9-7-16(8-10-17)22-18(24)11-6-15-4-2-3-5-15/h7-10,12-13,15H,2-6,11H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyQRWNWYYTZAJXBV-UHFFFAOYSA-N
XLogP3.49
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 1224874) is 3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCC3)cc2)n1.
What is the InChIKey of 3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is QRWNWYYTZAJXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14-12-13-20-19(21-14)23-27(25,26)17-9-7-16(8-10-17)22-18(24)11-6-15-4-2-3-5-15/h7-10,12-13,15H,2-6,11H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 1224874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).