N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide

C15H17NO2S2 — CID 103686179

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-11-2-4-13(5-3-11)20-10-15(18)16-8-14(17)12-6-7-19-9-12/h2-7,9,14,17H,8,10H2,1H3,(H,16,18)
InChIKeyCYJQLPPETIYJCX-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.00
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 103686179) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID103686179
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-11-2-4-13(5-3-11)20-10-15(18)16-8-14(17)12-6-7-19-9-12/h2-7,9,14,17H,8,10H2,1H3,(H,16,18)
InChIKeyCYJQLPPETIYJCX-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66065568
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
CID 106435414
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 111441332

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide (CID 103686179) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NCC(O)c2ccsc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is CYJQLPPETIYJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-11-2-4-13(5-3-11)20-10-15(18)16-8-14(17)12-6-7-19-9-12/h2-7,9,14,17H,8,10H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 307.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 103686179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).