N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide

C17H25NOS — CID 55835118

IUPACN-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H25NOS/c1-13(2)20-16-10-8-15(9-11-16)17(19)18-12-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,18,19)
InChIKeyDYFYEHSACMUDIU-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.50
Rot. Bonds5

About N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide

N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide (PubChem CID 55835118) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide
PubChem CID55835118
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H25NOS/c1-13(2)20-16-10-8-15(9-11-16)17(19)18-12-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,18,19)
InChIKeyDYFYEHSACMUDIU-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-propan-2-ylsulfanylbenzamide
CID 120945270
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262938
[4-(cyclohexylmethylcarbamoyl)phenyl]boronic acid
CID 71430774
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-[(4-chlorocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106133906
N-[(4-bromocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106134799
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 112841502
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
CID 55570164

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide (CID 55835118) is N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccc(C(=O)NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide?
The InChIKey is DYFYEHSACMUDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-13(2)20-16-10-8-15(9-11-16)17(19)18-12-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide?
N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide has a molecular weight of 291.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 55835118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).