2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide

C16H12Cl4N2O2S — CID 1211554

IUPAC2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CSCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl4N2O2S/c17-11-3-1-9(5-13(11)19)21-15(23)7-25-8-16(24)22-10-2-4-12(18)14(20)6-10/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChIKeyIHDBVRGGIMMYJN-UHFFFAOYSA-N
MW438.16 g/mol
LogP5.61
Rot. Bonds6

About 2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide

2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide (PubChem CID 1211554) has the molecular formula C16H12Cl4N2O2S and a molecular weight of 438.16 g/mol. Its IUPAC name is 2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
PubChem CID1211554
Molecular FormulaC16H12Cl4N2O2S
Molecular Weight438.16 g/mol
Exact Mass435.94
IUPAC Name2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CSCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl4N2O2S/c17-11-3-1-9(5-13(11)19)21-15(23)7-25-8-16(24)22-10-2-4-12(18)14(20)6-10/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChIKeyIHDBVRGGIMMYJN-UHFFFAOYSA-N
XLogP5.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.16
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
2-[2-[2-[(3,4-dichlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 25103488
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 710279
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237443
N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
CID 26577783
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
N-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358474
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide
CID 82182310
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide (CID 1211554) is 2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide is O=C(CSCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is IHDBVRGGIMMYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl4N2O2S/c17-11-3-1-9(5-13(11)19)21-15(23)7-25-8-16(24)22-10-2-4-12(18)14(20)6-10/h1-6H,7-8H2,(H,21,23)(H,22,24).
What are the key properties of 2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide?
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 438.16 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 1211554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).