N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

C24H30N2O3S — CID 46378252

IUPACN-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)c1
InChIInChI=1S/C24H30N2O3S/c1-17-6-10-20(11-7-17)25-23(27)24(14-15-24)19-8-12-21(13-9-19)26-30(28,29)22-5-3-4-18(2)16-22/h3-5,8-9,12-13,16-17,20,26H,6-7,10-11,14-15H2,1-2H3,(H,25,27)
InChIKeyYIFDRVCGNCRGSW-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.52
Rot. Bonds6

About N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 46378252) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID46378252
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)c1
InChIInChI=1S/C24H30N2O3S/c1-17-6-10-20(11-7-17)25-23(27)24(14-15-24)19-8-12-21(13-9-19)26-30(28,29)22-5-3-4-18(2)16-22/h3-5,8-9,12-13,16-17,20,26H,6-7,10-11,14-15H2,1-2H3,(H,25,27)
InChIKeyYIFDRVCGNCRGSW-UHFFFAOYSA-N
XLogP4.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 50822132
N-(4-methylcyclohexyl)-1-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971641
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062098
N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32668077
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822156
N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378168
N-butyl-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062340
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
N-cycloheptyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061942
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 50822425

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (CID 46378252) is N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is Cc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)c1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is YIFDRVCGNCRGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-17-6-10-20(11-7-17)25-23(27)24(14-15-24)19-8-12-21(13-9-19)26-30(28,29)22-5-3-4-18(2)16-22/h3-5,8-9,12-13,16-17,20,26H,6-7,10-11,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 426.58 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46378252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).