methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate

C20H22N2O5S — CID 17496883

IUPACmethyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H22N2O5S/c1-27-20(24)14-10-12-16(13-11-14)28(25,26)22-18-9-5-4-8-17(18)19(23)21-15-6-2-3-7-15/h4-5,8-13,15,22H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyQSGCIVWKTOHQSK-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.95
Rot. Bonds6

About methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate

methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate (PubChem CID 17496883) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate
PubChem CID17496883
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Namemethyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H22N2O5S/c1-27-20(24)14-10-12-16(13-11-14)28(25,26)22-18-9-5-4-8-17(18)19(23)21-15-6-2-3-7-15/h4-5,8-13,15,22H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyQSGCIVWKTOHQSK-UHFFFAOYSA-N
XLogP2.95
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate
CID 17234061
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
CID 110424063
N-cyclopentyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062446
4-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214488
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-cyclopropylbenzamide
CID 34281161
4-[(2-bromophenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058368

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate (CID 17496883) is methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1.
What is the InChIKey of methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate?
The InChIKey is QSGCIVWKTOHQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-27-20(24)14-10-12-16(13-11-14)28(25,26)22-18-9-5-4-8-17(18)19(23)21-15-6-2-3-7-15/h4-5,8-13,15,22H,2-3,6-7H2,1H3,(H,21,23).
What are the key properties of methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate?
methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate has a molecular weight of 402.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 17496883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).