1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea

C17H25N3O3S — CID 119045085

IUPAC1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)NC1CCCC1
InChIInChI=1S/C17H25N3O3S/c21-17(18-13-5-1-2-6-13)19-14-9-11-16(12-10-14)24(22,23)20-15-7-3-4-8-15/h9-13,15,20H,1-8H2,(H2,18,19,21)
InChIKeyNQKVSGSTKWYPNM-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.97
Rot. Bonds5

About 1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea

1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea (PubChem CID 119045085) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
PubChem CID119045085
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)NC1CCCC1
InChIInChI=1S/C17H25N3O3S/c21-17(18-13-5-1-2-6-13)19-14-9-11-16(12-10-14)24(22,23)20-15-7-3-4-8-15/h9-13,15,20H,1-8H2,(H2,18,19,21)
InChIKeyNQKVSGSTKWYPNM-UHFFFAOYSA-N
XLogP2.97
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
1-[4-(cyclopentylsulfamoyl)phenyl]-3-(1-ethylpiperidin-3-yl)urea
CID 119045061
1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
CID 115617892
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045094
2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 2228727
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
cis-(1R,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1015007
trans-(1S,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51570846
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678
cis-(1S,2R)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11839068

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea (CID 119045085) is 1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea is O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea?
The InChIKey is NQKVSGSTKWYPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-17(18-13-5-1-2-6-13)19-14-9-11-16(12-10-14)24(22,23)20-15-7-3-4-8-15/h9-13,15,20H,1-8H2,(H2,18,19,21).
What are the key properties of 1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea?
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea has a molecular weight of 351.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea is sourced from PubChem (CID 119045085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).