N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide

C24H30N2O3S — CID 55598955

IUPACN-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-17(18-9-13-22(14-10-18)25-24(27)21-7-8-21)26-30(28,29)23-15-11-20(12-16-23)19-5-3-2-4-6-19/h9-17,19,21,26H,2-8H2,1H3,(H,25,27)
InChIKeyPYNNPASXXUKFIX-UHFFFAOYSA-N
MW426.58 g/mol
LogP5.12
Rot. Bonds7

About N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 55598955) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID55598955
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-17(18-9-13-22(14-10-18)25-24(27)21-7-8-21)26-30(28,29)23-15-11-20(12-16-23)19-5-3-2-4-6-19/h9-17,19,21,26H,2-8H2,1H3,(H,25,27)
InChIKeyPYNNPASXXUKFIX-UHFFFAOYSA-N
XLogP5.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.58
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595962
N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55598275
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55691640
N-[4-[1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46599200
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699
3-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685724
N-[4-[1-(4-propan-2-ylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 22201175
N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 95733866
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 55598955) is N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is PYNNPASXXUKFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-17(18-9-13-22(14-10-18)25-24(27)21-7-8-21)26-30(28,29)23-15-11-20(12-16-23)19-5-3-2-4-6-19/h9-17,19,21,26H,2-8H2,1H3,(H,25,27).
What are the key properties of N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 426.58 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55598955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).