N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide

C16H13Cl3N2O2S — CID 26577783

IUPACN-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl3N2O2S/c17-10-1-4-12(5-2-10)20-15(22)8-24-9-16(23)21-14-7-11(18)3-6-13(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyPIICWRQQUPFBRT-UHFFFAOYSA-N
MW403.72 g/mol
LogP4.96
Rot. Bonds6

About N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide

N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 26577783) has the molecular formula C16H13Cl3N2O2S and a molecular weight of 403.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID26577783
Molecular FormulaC16H13Cl3N2O2S
Molecular Weight403.72 g/mol
Exact Mass401.98
IUPAC NameN-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl3N2O2S/c17-10-1-4-12(5-2-10)20-15(22)8-24-9-16(23)21-14-7-11(18)3-6-13(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyPIICWRQQUPFBRT-UHFFFAOYSA-N
XLogP4.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.72
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 993101
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7731437
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 6969899
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 7699071
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22778284
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 1193965
2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
CID 66289696
2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 2075802
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide (CID 26577783) is N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is PIICWRQQUPFBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2S/c17-10-1-4-12(5-2-10)20-15(22)8-24-9-16(23)21-14-7-11(18)3-6-13(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 403.72 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 26577783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).