N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide

C14H10Cl2INOS — CID 2294415

IUPACN-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H10Cl2INOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-6-3-10(17)7-12(13)16/h1-7H,8H2,(H,18,19)
InChIKeyBTMGHNFWXWMNTE-UHFFFAOYSA-N
MW438.12 g/mol
LogP5.33
Rot. Bonds4

About N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide

N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 2294415) has the molecular formula C14H10Cl2INOS and a molecular weight of 438.12 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID2294415
Molecular FormulaC14H10Cl2INOS
Molecular Weight438.12 g/mol
Exact Mass436.89
IUPAC NameN-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H10Cl2INOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-6-3-10(17)7-12(13)16/h1-7H,8H2,(H,18,19)
InChIKeyBTMGHNFWXWMNTE-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.12
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)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-(4-tert-butylphenyl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 5197742
N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide
CID 114258787
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 61031719
N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47263024
N-[4-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22778282
2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 43298970
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 1026425
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-5-methylbenzoic acid
CID 4188338
N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467411

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide (CID 2294415) is N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is BTMGHNFWXWMNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2INOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-6-3-10(17)7-12(13)16/h1-7H,8H2,(H,18,19).
What are the key properties of N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 438.12 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 2294415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).