1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea

C20H26N4O3S — CID 135222590

IUPAC1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C20H26N4O3S/c1-2-24(18-5-3-4-6-18)28(26,27)19-9-7-17(8-10-19)23-20(25)22-15-16-11-13-21-14-12-16/h7-14,18H,2-6,15H2,1H3,(H2,22,23,25)
InChIKeyGJKSDTMKQYQUTD-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.36
Rot. Bonds7

About 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea

1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135222590) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135222590
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C20H26N4O3S/c1-2-24(18-5-3-4-6-18)28(26,27)19-9-7-17(8-10-19)23-20(25)22-15-16-11-13-21-14-12-16/h7-14,18H,2-6,15H2,1H3,(H2,22,23,25)
InChIKeyGJKSDTMKQYQUTD-UHFFFAOYSA-N
XLogP3.36
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea 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 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea (CID 135222590) is 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea is CCN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is GJKSDTMKQYQUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-2-24(18-5-3-4-6-18)28(26,27)19-9-7-17(8-10-19)23-20(25)22-15-16-11-13-21-14-12-16/h7-14,18H,2-6,15H2,1H3,(H2,22,23,25).
What are the key properties of 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 402.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopentyl(ethyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135222590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).