4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C15H21NO2S — CID 110008816

IUPAC4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESCCSc1ccc(C(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-2-19-13-7-5-12(6-8-13)14(18)16-15(11-17)9-3-4-10-15/h5-8,17H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyMIXHSFFHYUJJCP-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.83
Rot. Bonds5

About 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide

4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 110008816) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID110008816
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESCCSc1ccc(C(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-2-19-13-7-5-12(6-8-13)14(18)16-15(11-17)9-3-4-10-15/h5-8,17H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyMIXHSFFHYUJJCP-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55082146
4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide
CID 110000175
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
N-[1-(hydroxymethyl)cyclopentyl]-4-(pentanoylamino)benzamide
CID 50952378
N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide
CID 62517205
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-carboxamide
CID 110008429
4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62518563
N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide
CID 115877995
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 110008816) is 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide is CCSc1ccc(C(=O)NC2(CO)CCCC2)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is MIXHSFFHYUJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-2-19-13-7-5-12(6-8-13)14(18)16-15(11-17)9-3-4-10-15/h5-8,17H,2-4,9-11H2,1H3,(H,16,18).
What are the key properties of 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 279.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 110008816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).