cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide

C20H24N2O3S — CID 7762631

IUPACcis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc2C)c(C)c1
InChIInChI=1S/C20H24N2O3S/c1-12-5-8-18(15(4)9-12)22-26(24,25)19-11-16(7-6-13(19)2)21-20(23)17-10-14(17)3/h5-9,11,14,17,22H,10H2,1-4H3,(H,21,23)/t14-,17+/m0/s1
InChIKeyAIGPBWHVQLANNL-WMLDXEAASA-N
MW372.49 g/mol
LogP4.01
Rot. Bonds5

About cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 7762631) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID7762631
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Namecis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc2C)c(C)c1
InChIInChI=1S/C20H24N2O3S/c1-12-5-8-18(15(4)9-12)22-26(24,25)19-11-16(7-6-13(19)2)21-20(23)17-10-14(17)3/h5-9,11,14,17,22H,10H2,1-4H3,(H,21,23)/t14-,17+/m0/s1
InChIKeyAIGPBWHVQLANNL-WMLDXEAASA-N
XLogP4.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 26850175
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569
ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate
CID 7908241
trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 25342315
(E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6083457
(1S)-2-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738361
(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 40785964
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 7908243
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3891119
methyl 4-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 5173913
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 126388649

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide (CID 7762631) is cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide is Cc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc2C)c(C)c1.
What is the InChIKey of cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is AIGPBWHVQLANNL-WMLDXEAASA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12-5-8-18(15(4)9-12)22-26(24,25)19-11-16(7-6-13(19)2)21-20(23)17-10-14(17)3/h5-9,11,14,17,22H,10H2,1-4H3,(H,21,23)/t14-,17+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 7762631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).