2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide

C13H17NO2S — CID 115675030

IUPAC2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1CCCSC1
InChIInChI=1S/C13H17NO2S/c15-12-5-1-3-10(7-12)8-13(16)14-11-4-2-6-17-9-11/h1,3,5,7,11,15H,2,4,6,8-9H2,(H,14,16)
InChIKeyAOZWWRXNRRXLLQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.95
Rot. Bonds3

About 2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide

2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide (PubChem CID 115675030) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide
PubChem CID115675030
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1CCCSC1
InChIInChI=1S/C13H17NO2S/c15-12-5-1-3-10(7-12)8-13(16)14-11-4-2-6-17-9-11/h1,3,5,7,11,15H,2,4,6,8-9H2,(H,14,16)
InChIKeyAOZWWRXNRRXLLQ-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide
CID 86791471
2-(3-hydroxyphenyl)-N-(4-methylcycloheptyl)acetamide
CID 102809381
N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 63921976
2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
CID 115674764
3-(thian-3-ylmethyl)phenol
CID 105462417
2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 113235632
2,5-dihydroxy-N-(thian-3-yl)benzamide
CID 107723796
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide
CID 104984848
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide
CID 95990381
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide (CID 115675030) is 2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide is O=C(Cc1cccc(O)c1)NC1CCCSC1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide?
The InChIKey is AOZWWRXNRRXLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-12-5-1-3-10(7-12)8-13(16)14-11-4-2-6-17-9-11/h1,3,5,7,11,15H,2,4,6,8-9H2,(H,14,16).
What are the key properties of 2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide?
2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide has a molecular weight of 251.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide is sourced from PubChem (CID 115675030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).