1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide

C23H28N2O3S — CID 46378340

IUPAC1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C23H28N2O3S/c1-24-22(26)23(15-16-23)19-9-11-20(12-10-19)25-29(27,28)21-13-7-18(8-14-21)17-5-3-2-4-6-17/h7-14,17,25H,2-6,15-16H2,1H3,(H,24,26)
InChIKeyOWIULFRZQLNPHI-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.31
Rot. Bonds6

About 1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide

1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 46378340) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide
PubChem CID46378340
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C23H28N2O3S/c1-24-22(26)23(15-16-23)19-9-11-20(12-10-19)25-29(27,28)21-13-7-18(8-14-21)17-5-3-2-4-6-17/h7-14,17,25H,2-6,15-16H2,1H3,(H,24,26)
InChIKeyOWIULFRZQLNPHI-UHFFFAOYSA-N
XLogP4.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378300
N-butan-2-yl-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971624
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 46378095
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 50822425
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide
CID 95781125
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210
propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910
N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378168
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide (CID 46378340) is 1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide is CNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is OWIULFRZQLNPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-24-22(26)23(15-16-23)19-9-11-20(12-10-19)25-29(27,28)21-13-7-18(8-14-21)17-5-3-2-4-6-17/h7-14,17,25H,2-6,15-16H2,1H3,(H,24,26).
What are the key properties of 1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide?
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 46378340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).