2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide

C16H23NO3S — CID 111459737

IUPAC2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESCCS(=O)c1ccccc1C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C16H23NO3S/c1-2-21(20)15-9-4-3-8-14(15)16(19)17-11-12-6-5-7-13(18)10-12/h3-4,8-9,12-13,18H,2,5-7,10-11H2,1H3,(H,17,19)
InChIKeyGYEKDQOTWKQQTP-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.10
Rot. Bonds5

About 2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide

2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide (PubChem CID 111459737) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
PubChem CID111459737
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESCCS(=O)c1ccccc1C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C16H23NO3S/c1-2-21(20)15-9-4-3-8-14(15)16(19)17-11-12-6-5-7-13(18)10-12/h3-4,8-9,12-13,18H,2,5-7,10-11H2,1H3,(H,17,19)
InChIKeyGYEKDQOTWKQQTP-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-ethylsulfinylbenzamide
CID 146085428
N-[(3-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 103691205
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
N-[(3-hydroxycyclohexyl)methyl]-2-(3-methylbut-2-enylsulfanyl)benzamide
CID 111460429
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 111825443
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide (CID 111459737) is 2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide is CCS(=O)c1ccccc1C(=O)NCC1CCCC(O)C1.
What is the InChIKey of 2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is GYEKDQOTWKQQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-2-21(20)15-9-4-3-8-14(15)16(19)17-11-12-6-5-7-13(18)10-12/h3-4,8-9,12-13,18H,2,5-7,10-11H2,1H3,(H,17,19).
What are the key properties of 2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide?
2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 309.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 111459737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).