2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide

C14H11Cl2NOS — CID 4053686

IUPAC2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C(Cl)Cl
InChIInChI=1S/C14H11Cl2NOS/c15-13(16)14(18)17-11-8-4-5-9-12(11)19-10-6-2-1-3-7-10/h1-9,13H,(H,17,18)
InChIKeyZPDSZHXWYKWZKE-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.58
Rot. Bonds4

About 2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide

2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 4053686) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID4053686
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC Name2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C(Cl)Cl
InChIInChI=1S/C14H11Cl2NOS/c15-13(16)14(18)17-11-8-4-5-9-12(11)19-10-6-2-1-3-7-10/h1-9,13H,(H,17,18)
InChIKeyZPDSZHXWYKWZKE-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-(2-phenylsulfanylphenyl)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

(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
2-amino-N-(2-phenylsulfanylphenyl)pentanamide
CID 61253814
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515224
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125
1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
CID 108888842
tert-butyl N-(2-phenylsulfanylphenyl)carbamate
CID 12668805
N-(2-phenylsulfanylphenyl)but-3-enamide
CID 162717598
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837
1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896212
1-[(2-bromophenyl)methyl]-3-(2-phenylsulfanylphenyl)urea
CID 108897858

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide (CID 4053686) is 2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide is O=C(Nc1ccccc1Sc1ccccc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is ZPDSZHXWYKWZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c15-13(16)14(18)17-11-8-4-5-9-12(11)19-10-6-2-1-3-7-10/h1-9,13H,(H,17,18).
What are the key properties of 2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide?
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 312.22 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 4053686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).