N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide

C17H16Cl2N2O2S — CID 55688771

IUPACN-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(CNC(=O)CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-11(22)21-14-4-2-3-12(7-14)9-20-17(23)10-24-16-8-13(18)5-6-15(16)19/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyMYNDPNKWDQEQOO-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.36
Rot. Bonds6

About N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide

N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide (PubChem CID 55688771) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
PubChem CID55688771
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC NameN-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(CNC(=O)CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-11(22)21-14-4-2-3-12(7-14)9-20-17(23)10-24-16-8-13(18)5-6-15(16)19/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyMYNDPNKWDQEQOO-UHFFFAOYSA-N
XLogP4.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide 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-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 55570689
3-benzyl-1-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-1-methylthiourea
CID 2523245
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2085866
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
CID 86971491
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
2-methyl-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]butanamide
CID 55749581
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide
CID 28973867
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470
N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 4797149

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide (CID 55688771) is N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide is CC(=O)Nc1cccc(CNC(=O)CSc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide?
The InChIKey is MYNDPNKWDQEQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-11(22)21-14-4-2-3-12(7-14)9-20-17(23)10-24-16-8-13(18)5-6-15(16)19/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide?
N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide has a molecular weight of 383.30 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide is sourced from PubChem (CID 55688771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).