2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide

C16H17ClN2OS — CID 43303009

IUPAC2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
SMILESCc1cc(N)ccc1SCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2OS/c1-11-8-14(18)6-7-15(11)21-10-16(20)19-9-12-2-4-13(17)5-3-12/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyGVIIZJSEXQFMMI-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.64
Rot. Bonds5

About 2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide

2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 43303009) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID43303009
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
SMILESCc1cc(N)ccc1SCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2OS/c1-11-8-14(18)6-7-15(11)21-10-16(20)19-9-12-2-4-13(17)5-3-12/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyGVIIZJSEXQFMMI-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.64
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-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43305259
2-(2-amino-4-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43250933
2-(4-amino-2-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 43302965
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 43303113
2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide
CID 28973867
N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide
CID 43302863
ethyl N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]carbamate
CID 43303038
2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 79129764
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107
N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
CID 43303059

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide (CID 43303009) is 2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide is Cc1cc(N)ccc1SCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is GVIIZJSEXQFMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-11-8-14(18)6-7-15(11)21-10-16(20)19-9-12-2-4-13(17)5-3-12/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 320.85 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 43303009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).