2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide

C21H25ClN2O3S — CID 134009951

IUPAC2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C2CC2c2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-14(2)24-28(26,27)13-16-9-7-15(8-10-16)12-23-21(25)19-11-18(19)17-5-3-4-6-20(17)22/h3-10,14,18-19,24H,11-13H2,1-2H3,(H,23,25)
InChIKeyVCFMABTYPKQCCJ-UHFFFAOYSA-N
MW420.96 g/mol
LogP3.59
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 134009951) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID134009951
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C2CC2c2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-14(2)24-28(26,27)13-16-9-7-15(8-10-16)12-23-21(25)19-11-18(19)17-5-3-4-6-20(17)22/h3-10,14,18-19,24H,11-13H2,1-2H3,(H,23,25)
InChIKeyVCFMABTYPKQCCJ-UHFFFAOYSA-N
XLogP3.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-(2-chlorophenyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748329
2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748466
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55493076
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42926752
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 36607706
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide
CID 95781314

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 134009951) is 2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C2CC2c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is VCFMABTYPKQCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-14(2)24-28(26,27)13-16-9-7-15(8-10-16)12-23-21(25)19-11-18(19)17-5-3-4-6-20(17)22/h3-10,14,18-19,24H,11-13H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 420.96 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134009951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).