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

C29H38N2O3S — CID 46378300

IUPACN-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C29H38N2O3S/c32-28(30-21-22-7-3-1-4-8-22)29(19-20-29)25-13-15-26(16-14-25)31-35(33,34)27-17-11-24(12-18-27)23-9-5-2-6-10-23/h11-18,22-23,31H,1-10,19-21H2,(H,30,32)
InChIKeyBATSGUUQXNWJNN-UHFFFAOYSA-N
MW494.70 g/mol
LogP6.26
Rot. Bonds8

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

N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 46378300) has the molecular formula C29H38N2O3S and a molecular weight of 494.70 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID46378300
Molecular FormulaC29H38N2O3S
Molecular Weight494.70 g/mol
Exact Mass494.26
IUPAC NameN-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C29H38N2O3S/c32-28(30-21-22-7-3-1-4-8-22)29(19-20-29)25-13-15-26(16-14-25)31-35(33,34)27-17-11-24(12-18-27)23-9-5-2-6-10-23/h11-18,22-23,31H,1-10,19-21H2,(H,30,32)
InChIKeyBATSGUUQXNWJNN-UHFFFAOYSA-N
XLogP6.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.70
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 46378095
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide
CID 46378340
N-(cyclohexylmethyl)-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062211
N-butan-2-yl-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971624
N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide
CID 50827157
N-(cyclohexylmethyl)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062216
N-(cyclohexylmethyl)-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822359
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880180
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880218
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210
N-(oxolan-2-ylmethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378114

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (CID 46378300) is N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is O=C(NCC1CCCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is BATSGUUQXNWJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O3S/c32-28(30-21-22-7-3-1-4-8-22)29(19-20-29)25-13-15-26(16-14-25)31-35(33,34)27-17-11-24(12-18-27)23-9-5-2-6-10-23/h11-18,22-23,31H,1-10,19-21H2,(H,30,32).
What are the key properties of N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 494.70 g/mol, XLogP of 6.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46378300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).