cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide

C17H18N2O3S — CID 40606359

IUPACcis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3S/c18-23(21,22)14-8-6-12(7-9-14)11-19-17(20)16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,19,20)(H2,18,21,22)/t15-,16-/m0/s1
InChIKeyICNCQXIQXPSHFL-HOTGVXAUSA-N
MW330.41 g/mol
LogP1.75
Rot. Bonds5

About cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 40606359) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID40606359
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Namecis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3S/c18-23(21,22)14-8-6-12(7-9-14)11-19-17(20)16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,19,20)(H2,18,21,22)/t15-,16-/m0/s1
InChIKeyICNCQXIQXPSHFL-HOTGVXAUSA-N
XLogP1.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 59860935
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210828
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 2862795
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 114422610
N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 78985906
N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
CID 107261035

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide (CID 40606359) is cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2)cc1.
What is the InChIKey of cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is ICNCQXIQXPSHFL-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H18N2O3S/c18-23(21,22)14-8-6-12(7-9-14)11-19-17(20)16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,19,20)(H2,18,21,22)/t15-,16-/m0/s1.
What are the key properties of cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 40606359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).