N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide

C13H13NOS2 — CID 30897344

IUPACN-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1cccs1
InChIInChI=1S/C13H13NOS2/c1-10-5-2-3-6-11(10)14-12(15)9-17-13-7-4-8-16-13/h2-8H,9H2,1H3,(H,14,15)
InChIKeyOYJWDAPXLOVTLY-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.79
Rot. Bonds4

About N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide

N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 30897344) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID30897344
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC NameN-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1cccs1
InChIInChI=1S/C13H13NOS2/c1-10-5-2-3-6-11(10)14-12(15)9-17-13-7-4-8-16-13/h2-8H,9H2,1H3,(H,14,15)
InChIKeyOYJWDAPXLOVTLY-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30898769
2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]benzoic acid
CID 104832830
N-(2-methylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1155258
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
CID 861411
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
5-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]benzoic acid
CID 61405950
3-hydroxy-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzoic acid
CID 60826734
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43546433
2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
CID 62577112
N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
CID 50801004
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-[[5-[4-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 16761436

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide (CID 30897344) is N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide is Cc1ccccc1NC(=O)CSc1cccs1.
What is the InChIKey of N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is OYJWDAPXLOVTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c1-10-5-2-3-6-11(10)14-12(15)9-17-13-7-4-8-16-13/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide?
N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 263.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 30897344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).