2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide

C15H13Cl3N2OS — CID 112843143

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CSc1ccc(Cl)cn1
InChIInChI=1S/C15H13Cl3N2OS/c1-20(8-10-4-12(17)6-13(18)5-10)15(21)9-22-14-3-2-11(16)7-19-14/h2-7H,8-9H2,1H3
InChIKeyWWIWZAGDULWSIK-UHFFFAOYSA-N
MW375.71 g/mol
LogP4.79
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 112843143) has the molecular formula C15H13Cl3N2OS and a molecular weight of 375.71 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID112843143
Molecular FormulaC15H13Cl3N2OS
Molecular Weight375.71 g/mol
Exact Mass373.98
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CSc1ccc(Cl)cn1
InChIInChI=1S/C15H13Cl3N2OS/c1-20(8-10-4-12(17)6-13(18)5-10)15(21)9-22-14-3-2-11(16)7-19-14/h2-7H,8-9H2,1H3
InChIKeyWWIWZAGDULWSIK-UHFFFAOYSA-N
XLogP4.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.71
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 112815720
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 112815555
4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
CID 63307571
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 78796689
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 61108177
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 51190278
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 41481065
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 43301277
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 7977956
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 112815585
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 9142166

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide (CID 112843143) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CSc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is WWIWZAGDULWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2OS/c1-20(8-10-4-12(17)6-13(18)5-10)15(21)9-22-14-3-2-11(16)7-19-14/h2-7H,8-9H2,1H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 375.71 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112843143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).