N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide

C13H13NO2S2 — CID 25116775

IUPACN-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccsc1CO
InChIInChI=1S/C13H13NO2S2/c15-8-12-11(6-7-17-12)14-13(16)9-18-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H,14,16)
InChIKeyUCEWSVWJNYLFDE-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide

N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide (PubChem CID 25116775) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide
PubChem CID25116775
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC NameN-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccsc1CO
InChIInChI=1S/C13H13NO2S2/c15-8-12-11(6-7-17-12)14-13(16)9-18-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H,14,16)
InChIKeyUCEWSVWJNYLFDE-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thieno(3,2-b)pyridine-5,7-diol
CID 54679747
N-(2-(hydroxymethyl)thiophen-3-yl)-2-phenylacetamide
CID 52943427
(3S)-3-hydroxy-N-phenyl-3-thiophen-2-ylpropanamide
CID 101902511
3-[[2-(2-Fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43357983
3-[3-(4-Fluorophenyl)sulfanylpropanoylamino]thiophene-2-carboxylic acid
CID 43357986
3-[[2-(4-Fluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43358005
3-[3-(2-Fluorophenyl)sulfanylpropanoylamino]thiophene-2-carboxylic acid
CID 43358081
[4-(Benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol
CID 20699572
2-(4-bromophenyl)sulfanyl-N-[2-(hydroxymethyl)thiophen-3-yl]acetamide
CID 25116776
N-[2-(hydroxymethyl)thiophen-3-yl]acetamide
CID 66385012
(3-Boc-amino-thiophen-2-yl)-methanol
CID 131637957
phenol;N-thiophen-3-ylacetamide
CID 161627286

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide (CID 25116775) is N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccsc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide?
The InChIKey is UCEWSVWJNYLFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S2/c15-8-12-11(6-7-17-12)14-13(16)9-18-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H,14,16).
What are the key properties of N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide?
N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide has a molecular weight of 279.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 25116775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).