2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide

C15H15ClN2OS — CID 6486794

IUPAC2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2N)cc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-10-6-7-11(8-12(10)16)18-15(19)9-20-14-5-3-2-4-13(14)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyCZUNLVRVRWNDFQ-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.96
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 6486794) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID6486794
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2N)cc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-10-6-7-11(8-12(10)16)18-15(19)9-20-14-5-3-2-4-13(14)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyCZUNLVRVRWNDFQ-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43248918
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
3-chloro-N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 1434893
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628688
2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3482565
N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498956
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 43301918
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 29298839
N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 43377074
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
2-[(5-benzhydryl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 19060707

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide (CID 6486794) is 2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2ccccc2N)cc1Cl.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is CZUNLVRVRWNDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-10-6-7-11(8-12(10)16)18-15(19)9-20-14-5-3-2-4-13(14)17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 306.82 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 6486794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).