4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide

C16H23NO2S — CID 110000175

IUPAC4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide
SMILESCCSc1ccc(C(=O)NC2CCCC2(C)CO)cc1
InChIInChI=1S/C16H23NO2S/c1-3-20-13-8-6-12(7-9-13)15(19)17-14-5-4-10-16(14,2)11-18/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyMPJYXAJXXJMACF-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.08
Rot. Bonds5

About 4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide

4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide (PubChem CID 110000175) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide
PubChem CID110000175
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide
SMILESCCSc1ccc(C(=O)NC2CCCC2(C)CO)cc1
InChIInChI=1S/C16H23NO2S/c1-3-20-13-8-6-12(7-9-13)15(19)17-14-5-4-10-16(14,2)11-18/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyMPJYXAJXXJMACF-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 110008816
2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide
CID 109399464
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
N-[(2S)-1-[[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000557
N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000559
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759798
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111504256
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide
CID 71849712
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide
CID 110000339
4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
CID 110000173

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide?
The IUPAC name of 4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide (CID 110000175) is 4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide.
What is the SMILES notation for 4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide?
The canonical SMILES for 4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide is CCSc1ccc(C(=O)NC2CCCC2(C)CO)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide?
The InChIKey is MPJYXAJXXJMACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-3-20-13-8-6-12(7-9-13)15(19)17-14-5-4-10-16(14,2)11-18/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,17,19).
What are the key properties of 4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide?
4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide has a molecular weight of 293.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide is sourced from PubChem (CID 110000175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).