2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide

C16H23ClN2OS — CID 43305214

IUPAC2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSc2ccc(N)cc2Cl)C1C
InChIInChI=1S/C16H23ClN2OS/c1-10-4-3-5-14(11(10)2)19-16(20)9-21-15-7-6-12(18)8-13(15)17/h6-8,10-11,14H,3-5,9,18H2,1-2H3,(H,19,20)
InChIKeyCZNGMOMUBZGDJO-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.96
Rot. Bonds4

About 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide

2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 43305214) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID43305214
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSc2ccc(N)cc2Cl)C1C
InChIInChI=1S/C16H23ClN2OS/c1-10-4-3-5-14(11(10)2)19-16(20)9-21-15-7-6-12(18)8-13(15)17/h6-8,10-11,14H,3-5,9,18H2,1-2H3,(H,19,20)
InChIKeyCZNGMOMUBZGDJO-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
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-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 3590753
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 79128505
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
N'-acetyl-2-(4-amino-2-chlorophenyl)sulfanylacetohydrazide
CID 43305113
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 11906066
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 112815574
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284425
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 73140562
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916666
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide (CID 43305214) is 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)CSc2ccc(N)cc2Cl)C1C.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is CZNGMOMUBZGDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-10-4-3-5-14(11(10)2)19-16(20)9-21-15-7-6-12(18)8-13(15)17/h6-8,10-11,14H,3-5,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide?
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 326.89 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-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 43305214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).