N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide

C14H11Cl2NOS — CID 2498952

IUPACN-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c15-10-5-1-3-7-12(10)17-14(18)9-19-13-8-4-2-6-11(13)16/h1-8H,9H2,(H,17,18)
InChIKeyBQEGHNIVLDRTTL-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.72
Rot. Bonds4

About N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide

N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide (PubChem CID 2498952) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
PubChem CID2498952
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC NameN-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c15-10-5-1-3-7-12(10)17-14(18)9-19-13-8-4-2-6-11(13)16/h1-8H,9H2,(H,17,18)
InChIKeyBQEGHNIVLDRTTL-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate
CID 2554185
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984
N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide
CID 2822568
N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 3313199

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide (CID 2498952) is N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide is O=C(CSc1ccccc1Cl)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The InChIKey is BQEGHNIVLDRTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c15-10-5-1-3-7-12(10)17-14(18)9-19-13-8-4-2-6-11(13)16/h1-8H,9H2,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide has a molecular weight of 312.22 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 2498952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).