N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide

C18H19NO3S — CID 56783782

IUPACN-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19NO3S/c1-13-11-16(13)18(20)19-17-10-6-5-7-14(17)12-23(21,22)15-8-3-2-4-9-15/h2-10,13,16H,11-12H2,1H3,(H,19,20)
InChIKeyCMMRMSVTFLVAMR-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide

N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 56783782) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID56783782
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19NO3S/c1-13-11-16(13)18(20)19-17-10-6-5-7-14(17)12-23(21,22)15-8-3-2-4-9-15/h2-10,13,16H,11-12H2,1H3,(H,19,20)
InChIKeyCMMRMSVTFLVAMR-UHFFFAOYSA-N
XLogP3.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114309765
(2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide
CID 122147122
2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride
CID 119320774
trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023057
N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60593361
(1R,6R)-6-[(2-ethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 790829
6-[(2-ethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2865228
N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 126770812
1-[2-(benzenesulfonylmethyl)phenyl]-3-(5-phenyl-1H-pyrazol-4-yl)urea
CID 166203989
N-[2-(1-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114304921
2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974718

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 56783782) is N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is CMMRMSVTFLVAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13-11-16(13)18(20)19-17-10-6-5-7-14(17)12-23(21,22)15-8-3-2-4-9-15/h2-10,13,16H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 56783782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).