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

C19H24N4O3S — CID 135222546

IUPAC1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H24N4O3S/c1-23(17-4-2-3-5-17)27(25,26)18-8-6-16(7-9-18)22-19(24)21-14-15-10-12-20-13-11-15/h6-13,17H,2-5,14H2,1H3,(H2,21,22,24)
InChIKeyQASQPGKTUHBIPP-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.97
Rot. Bonds6

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

1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135222546) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135222546
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H24N4O3S/c1-23(17-4-2-3-5-17)27(25,26)18-8-6-16(7-9-18)22-19(24)21-14-15-10-12-20-13-11-15/h6-13,17H,2-5,14H2,1H3,(H2,21,22,24)
InChIKeyQASQPGKTUHBIPP-UHFFFAOYSA-N
XLogP2.97
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea (CID 135222546) is 1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea is CN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is QASQPGKTUHBIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-23(17-4-2-3-5-17)27(25,26)18-8-6-16(7-9-18)22-19(24)21-14-15-10-12-20-13-11-15/h6-13,17H,2-5,14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 388.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopentyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135222546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).