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

C19H23N3O3S — CID 119045094

IUPAC1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H23N3O3S/c23-19(20-14-15-6-2-1-3-7-15)21-16-10-12-18(13-11-16)26(24,25)22-17-8-4-5-9-17/h1-3,6-7,10-13,17,22H,4-5,8-9,14H2,(H2,20,21,23)
InChIKeyGJPSUEZBGHQJDS-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.23
Rot. Bonds6

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

1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea (PubChem CID 119045094) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
PubChem CID119045094
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H23N3O3S/c23-19(20-14-15-6-2-1-3-7-15)21-16-10-12-18(13-11-16)26(24,25)22-17-8-4-5-9-17/h1-3,6-7,10-13,17,22H,4-5,8-9,14H2,(H2,20,21,23)
InChIKeyGJPSUEZBGHQJDS-UHFFFAOYSA-N
XLogP3.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
1-[4-[[(1S,3S)-3-hydroxycyclohexyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71654930
1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140925924
1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
CID 135223291
1-[4-[[3-(2-hydroxyethyl)cyclohexyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140926083
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109452
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
N-[4-(benzylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 2987452
N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide
CID 7195986

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea (CID 119045094) is 1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea is O=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea?
The InChIKey is GJPSUEZBGHQJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(20-14-15-6-2-1-3-7-15)21-16-10-12-18(13-11-16)26(24,25)22-17-8-4-5-9-17/h1-3,6-7,10-13,17,22H,4-5,8-9,14H2,(H2,20,21,23).
What are the key properties of 1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea?
1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea has a molecular weight of 373.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea is sourced from PubChem (CID 119045094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).