1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea

C19H23N3O4S — CID 47065616

IUPAC1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)NCc2ccccc2OC2CCCC2)c1
InChIInChI=1S/C19H23N3O4S/c20-27(24,25)17-10-5-7-15(12-17)22-19(23)21-13-14-6-1-4-11-18(14)26-16-8-2-3-9-16/h1,4-7,10-12,16H,2-3,8-9,13H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyQUBCBFBYKOTRSY-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.98
Rot. Bonds6

About 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea

1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea (PubChem CID 47065616) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea
PubChem CID47065616
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)NCc2ccccc2OC2CCCC2)c1
InChIInChI=1S/C19H23N3O4S/c20-27(24,25)17-10-5-7-15(12-17)22-19(23)21-13-14-6-1-4-11-18(14)26-16-8-2-3-9-16/h1,4-7,10-12,16H,2-3,8-9,13H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyQUBCBFBYKOTRSY-UHFFFAOYSA-N
XLogP2.98
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 52656968
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 111428441
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
N-[(2-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea
CID 71917097
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457
1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea
CID 136561160
N-(2-cyclopentyloxyphenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55993011

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea (CID 47065616) is 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea is NS(=O)(=O)c1cccc(NC(=O)NCc2ccccc2OC2CCCC2)c1.
What is the InChIKey of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea?
The InChIKey is QUBCBFBYKOTRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c20-27(24,25)17-10-5-7-15(12-17)22-19(23)21-13-14-6-1-4-11-18(14)26-16-8-2-3-9-16/h1,4-7,10-12,16H,2-3,8-9,13H2,(H2,20,24,25)(H2,21,22,23).
What are the key properties of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea?
1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea has a molecular weight of 389.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 47065616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).