N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide

C13H11ClN2OS2 — CID 11151064

IUPACN-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide
SMILESCc1ccc(NC(=S)C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H11ClN2OS2/c1-8-2-7-11(19-8)16-13(18)12(17)15-10-5-3-9(14)4-6-10/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyURLSERCSTSBTLD-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.09
Rot. Bonds2

About N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide

N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide (PubChem CID 11151064) has the molecular formula C13H11ClN2OS2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide
PubChem CID11151064
Molecular FormulaC13H11ClN2OS2
Molecular Weight310.83 g/mol
Exact Mass310.00
IUPAC NameN-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide
SMILESCc1ccc(NC(=S)C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H11ClN2OS2/c1-8-2-7-11(19-8)16-13(18)12(17)15-10-5-3-9(14)4-6-10/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyURLSERCSTSBTLD-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide
CID 12982491
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2502856
2-(4-chloroanilino)-N-(4,6-dimethoxypyrimidin-2-yl)-2-sulfanylideneacetamide
CID 10269459
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylideneacetamide
CID 7375562
N-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512199
2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61346975
1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea
CID 117235219
methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate
CID 61347171

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide (CID 11151064) is N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide is Cc1ccc(NC(=S)C(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide?
The InChIKey is URLSERCSTSBTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS2/c1-8-2-7-11(19-8)16-13(18)12(17)15-10-5-3-9(14)4-6-10/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide?
N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide has a molecular weight of 310.83 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide is sourced from PubChem (CID 11151064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).