methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate

C22H26N2O5S — CID 55572752

IUPACmethyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2(C(=O)OC)CCCC2)c1
InChIInChI=1S/C22H26N2O5S/c1-3-24(18-11-5-4-6-12-18)30(27,28)19-13-9-10-17(16-19)20(25)23-22(21(26)29-2)14-7-8-15-22/h4-6,9-13,16H,3,7-8,14-15H2,1-2H3,(H,23,25)
InChIKeyYBSWOLDRTQNEAR-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.12
Rot. Bonds7

About methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate

methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate (PubChem CID 55572752) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
PubChem CID55572752
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Namemethyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2(C(=O)OC)CCCC2)c1
InChIInChI=1S/C22H26N2O5S/c1-3-24(18-11-5-4-6-12-18)30(27,28)19-13-9-10-17(16-19)20(25)23-22(21(26)29-2)14-7-8-15-22/h4-6,9-13,16H,3,7-8,14-15H2,1-2H3,(H,23,25)
InChIKeyYBSWOLDRTQNEAR-UHFFFAOYSA-N
XLogP3.12
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26734441
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
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N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
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3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 31281999
N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate (CID 55572752) is methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2(C(=O)OC)CCCC2)c1.
What is the InChIKey of methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
The InChIKey is YBSWOLDRTQNEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-3-24(18-11-5-4-6-12-18)30(27,28)19-13-9-10-17(16-19)20(25)23-22(21(26)29-2)14-7-8-15-22/h4-6,9-13,16H,3,7-8,14-15H2,1-2H3,(H,23,25).
What are the key properties of methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate has a molecular weight of 430.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55572752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).