N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

C18H25NO3S — CID 3236046

IUPACN-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H25NO3S/c1-14-8-10-16(11-9-14)23(21,22)18(12-13-18)17(20)19(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3
InChIKeySAUBOCJFPIPRMG-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.09
Rot. Bonds4

About N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 3236046) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID3236046
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC NameN-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H25NO3S/c1-14-8-10-16(11-9-14)23(21,22)18(12-13-18)17(20)19(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3
InChIKeySAUBOCJFPIPRMG-UHFFFAOYSA-N
XLogP3.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 3236046) is N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)N(C)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is SAUBOCJFPIPRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-14-8-10-16(11-9-14)23(21,22)18(12-13-18)17(20)19(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 3236046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).