N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide

C15H13Cl2NOS — CID 2806174

IUPACN-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide
SMILESCC(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NOS/c1-10(19)18-9-13-14(17)3-2-4-15(13)20-12-7-5-11(16)6-8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyBXDQTJOOVZLECZ-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.78
Rot. Bonds4

About N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide

N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide (PubChem CID 2806174) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide
PubChem CID2806174
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC NameN-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide
SMILESCC(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NOS/c1-10(19)18-9-13-14(17)3-2-4-15(13)20-12-7-5-11(16)6-8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyBXDQTJOOVZLECZ-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

A-350619
CID 11111893
5-[[2-Chloro-6-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-oxopentanoic acid
CID 2812315
N-[(2-Chlorophenyl)methyl]-3-{[(3-chlorophenyl)methyl]sulfanyl}propanamide
CID 4219372
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
CID 15994262
4-({2-Chloro-6-[(4-chlorophenyl)sulfanyl]benzyl}amino)-4-oxobutanoic acid
CID 2812313
2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 71229976
N-benzyl-2-(4-chlorobenzenesulfonyl)acetamide
CID 7543995
N-(2-chlorobenzyl)-2-[(2-chloro-6-fluorobenzyl)sulfanyl]acetamide
CID 2243462
N-benzyl-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 44569556
4-chloro-N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]benzamide
CID 2806171
N-Benzyl-2-[(4-chlorophenyl)sulfanyl]-N-methylacetamide
CID 562971
N-(4-chlorobenzyl)-2-[(4-chlorophenyl)sulfanyl]acetamide
CID 685019

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide?
The IUPAC name of N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide (CID 2806174) is N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide?
The canonical SMILES for N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide is CC(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide?
The InChIKey is BXDQTJOOVZLECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c1-10(19)18-9-13-14(17)3-2-4-15(13)20-12-7-5-11(16)6-8-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide?
N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide has a molecular weight of 326.25 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide is sourced from PubChem (CID 2806174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).