N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide

C14H11Cl2NOS — CID 107019725

IUPACN-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c15-10-3-6-12(16)13(8-10)17-14(18)7-9-1-4-11(19)5-2-9/h1-6,8,19H,7H2,(H,17,18)
InChIKeyFVQBKBBCHDROLY-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.46
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide

N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107019725) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107019725
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC NameN-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c15-10-3-6-12(16)13(8-10)17-14(18)7-9-1-4-11(19)5-2-9/h1-6,8,19H,7H2,(H,17,18)
InChIKeyFVQBKBBCHDROLY-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide 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

N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107031090
N-(2,5-dichlorophenyl)-2-(4-methylsulfanylphenyl)acetamide
CID 41126402
N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199169
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020559
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
N-(2,5-dichlorophenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399999
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41107875
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033961

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide (CID 107019725) is N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide is O=C(Cc1ccc(S)cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is FVQBKBBCHDROLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c15-10-3-6-12(16)13(8-10)17-14(18)7-9-1-4-11(19)5-2-9/h1-6,8,19H,7H2,(H,17,18).
What are the key properties of N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide?
N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 312.22 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107019725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).