N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide

C14H21NO3S — CID 107318867

IUPACN-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCCCCCO)cc1
InChIInChI=1S/C14H21NO3S/c1-18-12-5-7-13(8-6-12)19-11-14(17)15-9-3-2-4-10-16/h5-8,16H,2-4,9-11H2,1H3,(H,15,17)
InChIKeyCDKIZOFAQHLBKG-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.07
Rot. Bonds9

About N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 107318867) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID107318867
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCCCCCO)cc1
InChIInChI=1S/C14H21NO3S/c1-18-12-5-7-13(8-6-12)19-11-14(17)15-9-3-2-4-10-16/h5-8,16H,2-4,9-11H2,1H3,(H,15,17)
InChIKeyCDKIZOFAQHLBKG-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107318521
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 92683988
2-(4-tert-butylphenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 78854668
2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide
CID 97000289
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 55908417
2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107319095
2-(4-methoxyphenyl)sulfanyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64518766
N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 107318867) is N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)NCCCCCO)cc1.
What is the InChIKey of N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is CDKIZOFAQHLBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-18-12-5-7-13(8-6-12)19-11-14(17)15-9-3-2-4-10-16/h5-8,16H,2-4,9-11H2,1H3,(H,15,17).
What are the key properties of N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 283.39 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 107318867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).