N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide

C18H19NO3S — CID 51073188

IUPACN-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H19NO3S/c1-13-8-9-15(23(2,21)22)12-16(13)19-17(20)18(10-11-18)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyKRXKSRJUCACVOE-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.07
Rot. Bonds4

About N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide

N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 51073188) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID51073188
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H19NO3S/c1-13-8-9-15(23(2,21)22)12-16(13)19-17(20)18(10-11-18)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyKRXKSRJUCACVOE-UHFFFAOYSA-N
XLogP3.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide (CID 51073188) is N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is KRXKSRJUCACVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13-8-9-15(23(2,21)22)12-16(13)19-17(20)18(10-11-18)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide?
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 51073188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).