N-(4-hydroxypentyl)-2-sulfanylbenzamide

C12H17NO2S — CID 106137767

IUPACN-(4-hydroxypentyl)-2-sulfanylbenzamide
SMILESCC(O)CCCNC(=O)c1ccccc1S
InChIInChI=1S/C12H17NO2S/c1-9(14)5-4-8-13-12(15)10-6-2-3-7-11(10)16/h2-3,6-7,9,14,16H,4-5,8H2,1H3,(H,13,15)
InChIKeyUUUVFLWBDFKWAL-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.87
Rot. Bonds5

About N-(4-hydroxypentyl)-2-sulfanylbenzamide

N-(4-hydroxypentyl)-2-sulfanylbenzamide (PubChem CID 106137767) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2-sulfanylbenzamide
PubChem CID106137767
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(4-hydroxypentyl)-2-sulfanylbenzamide
SMILESCC(O)CCCNC(=O)c1ccccc1S
InChIInChI=1S/C12H17NO2S/c1-9(14)5-4-8-13-12(15)10-6-2-3-7-11(10)16/h2-3,6-7,9,14,16H,4-5,8H2,1H3,(H,13,15)
InChIKeyUUUVFLWBDFKWAL-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
2-ethyl-N-(4-hydroxypentyl)benzamide
CID 107300304
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
N-[2-(3-methylbutanoylamino)ethyl]-2-sulfanylbenzamide
CID 108538517
2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide
CID 126714257
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 107300275

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2-sulfanylbenzamide?
The IUPAC name of N-(4-hydroxypentyl)-2-sulfanylbenzamide (CID 106137767) is N-(4-hydroxypentyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(4-hydroxypentyl)-2-sulfanylbenzamide is CC(O)CCCNC(=O)c1ccccc1S.
What is the InChIKey of N-(4-hydroxypentyl)-2-sulfanylbenzamide?
The InChIKey is UUUVFLWBDFKWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(14)5-4-8-13-12(15)10-6-2-3-7-11(10)16/h2-3,6-7,9,14,16H,4-5,8H2,1H3,(H,13,15).
What are the key properties of N-(4-hydroxypentyl)-2-sulfanylbenzamide?
N-(4-hydroxypentyl)-2-sulfanylbenzamide has a molecular weight of 239.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2-sulfanylbenzamide is sourced from PubChem (CID 106137767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).