N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

C16H17ClN2OS — CID 29298839

IUPACN-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(Cl)c(N)c2)c(C)c1
InChIInChI=1S/C16H17ClN2OS/c1-10-3-6-15(11(2)7-10)21-9-16(20)19-12-4-5-13(17)14(18)8-12/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyRZBKPTDEKRQSSG-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.27
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (PubChem CID 29298839) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
PubChem CID29298839
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(Cl)c(N)c2)c(C)c1
InChIInChI=1S/C16H17ClN2OS/c1-10-3-6-15(11(2)7-10)21-9-16(20)19-12-4-5-13(17)14(18)8-12/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyRZBKPTDEKRQSSG-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.27
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-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide
CID 7925492
N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)acetamide
CID 62537999
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 6486794
4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2616464
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (CID 29298839) is N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc(Cl)c(N)c2)c(C)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is RZBKPTDEKRQSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-10-3-6-15(11(2)7-10)21-9-16(20)19-12-4-5-13(17)14(18)8-12/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 320.85 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 29298839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).