3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide

C19H29NO3S — CID 59545342

IUPAC3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C19H29NO3S/c1-14(2)24(22,23)13-17-10-7-15(8-11-17)6-9-16-4-3-5-18(12-16)19(20)21/h3-5,12,14-15,17H,6-11,13H2,1-2H3,(H2,20,21)
InChIKeyPBYLDXHRUNQPTM-UHFFFAOYSA-N
MW351.51 g/mol
LogP3.35
Rot. Bonds7

About 3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide

3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide (PubChem CID 59545342) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is 3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide.

Molecular Properties

Compound Name3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide
PubChem CID59545342
Molecular FormulaC19H29NO3S
Molecular Weight351.51 g/mol
Exact Mass351.19
IUPAC Name3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C19H29NO3S/c1-14(2)24(22,23)13-17-10-7-15(8-11-17)6-9-16-4-3-5-18(12-16)19(20)21/h3-5,12,14-15,17H,6-11,13H2,1-2H3,(H2,20,21)
InChIKeyPBYLDXHRUNQPTM-UHFFFAOYSA-N
XLogP3.35
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 161260281
3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide
CID 59545980
N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine
CID 159384134
1-[3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]propan-2-one
CID 58145544
3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]aniline
CID 159572210
3-(2-methylpropyl)benzamide
CID 23130390
2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 58145056
3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide
CID 58276647
(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine
CID 158176073
1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole
CID 59231417
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide
CID 115659478

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide?
The IUPAC name of 3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide (CID 59545342) is 3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide.
What is the SMILES notation for 3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide?
The canonical SMILES for 3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide is CC(C)S(=O)(=O)CC1CCC(CCc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide?
The InChIKey is PBYLDXHRUNQPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3S/c1-14(2)24(22,23)13-17-10-7-15(8-11-17)6-9-16-4-3-5-18(12-16)19(20)21/h3-5,12,14-15,17H,6-11,13H2,1-2H3,(H2,20,21).
What are the key properties of 3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide?
3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide has a molecular weight of 351.51 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide is sourced from PubChem (CID 59545342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).