2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide

C16H15Cl2NOS — CID 2536420

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15Cl2NOS/c1-11-2-4-12(5-3-11)9-19-16(20)10-21-15-8-13(17)6-7-14(15)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyHTOWMRZMKSDUEZ-UHFFFAOYSA-N
MW340.28 g/mol
LogP4.71
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 2536420) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID2536420
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15Cl2NOS/c1-11-2-4-12(5-3-11)9-19-16(20)10-21-15-8-13(17)6-7-14(15)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyHTOWMRZMKSDUEZ-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2085866
N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 55688771
2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55795750
2-(2-amino-4-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43250933
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
3-benzyl-1-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-1-methylthiourea
CID 2523245
2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43303009
2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35352252
2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43305259
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 31504901
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 18569168

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide (CID 2536420) is 2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is HTOWMRZMKSDUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-11-2-4-12(5-3-11)9-19-16(20)10-21-15-8-13(17)6-7-14(15)18/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 340.28 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 2536420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).