2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide

C14H19NO2S — CID 115626238

IUPAC2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1O)NCC1CCSCC1
InChIInChI=1S/C14H19NO2S/c16-13-4-2-1-3-12(13)9-14(17)15-10-11-5-7-18-8-6-11/h1-4,11,16H,5-10H2,(H,15,17)
InChIKeyGRDMEDNAFHWWJY-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.19
Rot. Bonds4

About 2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide

2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide (PubChem CID 115626238) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
PubChem CID115626238
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1O)NCC1CCSCC1
InChIInChI=1S/C14H19NO2S/c16-13-4-2-1-3-12(13)9-14(17)15-10-11-5-7-18-8-6-11/h1-4,11,16H,5-10H2,(H,15,17)
InChIKeyGRDMEDNAFHWWJY-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 106133730
2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 113235632
3-(2-aminophenyl)-N-(thian-4-ylmethyl)propanamide
CID 107273399
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
CID 115625108
2-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625164
N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 113275096
2-[(thian-4-ylamino)methyl]phenol
CID 115603400
2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681734
2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106119007
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
5-bromo-2-hydroxy-N-(thian-4-ylmethyl)benzamide
CID 113235380

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide (CID 115626238) is 2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide is O=C(Cc1ccccc1O)NCC1CCSCC1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide?
The InChIKey is GRDMEDNAFHWWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-13-4-2-1-3-12(13)9-14(17)15-10-11-5-7-18-8-6-11/h1-4,11,16H,5-10H2,(H,15,17).
What are the key properties of 2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide?
2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide is sourced from PubChem (CID 115626238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).