N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide

C22H34N2O2S — CID 70892501

IUPACN-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide
SMILESCC(C)S(=O)Nc1ccc(C(=O)NC2CCCCC2C2CCCCC2)cc1
InChIInChI=1S/C22H34N2O2S/c1-16(2)27(26)24-19-14-12-18(13-15-19)22(25)23-21-11-7-6-10-20(21)17-8-4-3-5-9-17/h12-17,20-21,24H,3-11H2,1-2H3,(H,23,25)
InChIKeyVGQWXCXGXQIJQQ-UHFFFAOYSA-N
MW390.59 g/mol
LogP5.04
Rot. Bonds6

About N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide

N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide (PubChem CID 70892501) has the molecular formula C22H34N2O2S and a molecular weight of 390.59 g/mol. Its IUPAC name is N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide
PubChem CID70892501
Molecular FormulaC22H34N2O2S
Molecular Weight390.59 g/mol
Exact Mass390.23
IUPAC NameN-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide
SMILESCC(C)S(=O)Nc1ccc(C(=O)NC2CCCCC2C2CCCCC2)cc1
InChIInChI=1S/C22H34N2O2S/c1-16(2)27(26)24-19-14-12-18(13-15-19)22(25)23-21-11-7-6-10-20(21)17-8-4-3-5-9-17/h12-17,20-21,24H,3-11H2,1-2H3,(H,23,25)
InChIKeyVGQWXCXGXQIJQQ-UHFFFAOYSA-N
XLogP5.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.59
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide
CID 71168832
N-[[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylcarbamoyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 67937875
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
N-[(4aR,8R,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-4-chlorobenzamide
CID 90679027
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
4-acetamido-N-cyclooctylbenzamide
CID 2990044
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
4-methoxy-N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl)benzamide
CID 23620928

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide?
The IUPAC name of N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide (CID 70892501) is N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide.
What is the SMILES notation for N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide?
The canonical SMILES for N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide is CC(C)S(=O)Nc1ccc(C(=O)NC2CCCCC2C2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide?
The InChIKey is VGQWXCXGXQIJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2S/c1-16(2)27(26)24-19-14-12-18(13-15-19)22(25)23-21-11-7-6-10-20(21)17-8-4-3-5-9-17/h12-17,20-21,24H,3-11H2,1-2H3,(H,23,25).
What are the key properties of N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide?
N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide has a molecular weight of 390.59 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide is sourced from PubChem (CID 70892501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).