N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide

C20H15Cl2NO2S2 — CID 2807903

IUPACN-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2NO2S2/c1-12(24)20-17(10-18(27-20)13-2-4-14(21)5-3-13)23-19(25)11-26-16-8-6-15(22)7-9-16/h2-10H,11H2,1H3,(H,23,25)
InChIKeyPVJGKKTXDBGJNJ-UHFFFAOYSA-N
MW436.39 g/mol
LogP6.66
Rot. Bonds6

About N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide

N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 2807903) has the molecular formula C20H15Cl2NO2S2 and a molecular weight of 436.39 g/mol. Its IUPAC name is N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID2807903
Molecular FormulaC20H15Cl2NO2S2
Molecular Weight436.39 g/mol
Exact Mass434.99
IUPAC NameN-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2NO2S2/c1-12(24)20-17(10-18(27-20)13-2-4-14(21)5-3-13)23-19(25)11-26-16-8-6-15(22)7-9-16/h2-10H,11H2,1H3,(H,23,25)
InChIKeyPVJGKKTXDBGJNJ-UHFFFAOYSA-N
XLogP6.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.39
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8609411
ethyl 5-(4-chlorophenyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate
CID 4855694
2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide
CID 170895609
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-5-methylbenzoic acid
CID 4188338
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
CID 126186398
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide
CID 2809013
N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 2294415
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide (CID 2807903) is N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide is CC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is PVJGKKTXDBGJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO2S2/c1-12(24)20-17(10-18(27-20)13-2-4-14(21)5-3-13)23-19(25)11-26-16-8-6-15(22)7-9-16/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 436.39 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-5-(4-chlorophenyl)thiophen-3-yl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 2807903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).