2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide

C16H26N2OS — CID 79148077

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
SMILESCc1cc(SCC(=O)NC(C)CCC(C)C)ccc1N
InChIInChI=1S/C16H26N2OS/c1-11(2)5-6-13(4)18-16(19)10-20-14-7-8-15(17)12(3)9-14/h7-9,11,13H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyYRMSMYWUORKGBR-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.61
Rot. Bonds7

About 2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide (PubChem CID 79148077) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
PubChem CID79148077
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
SMILESCc1cc(SCC(=O)NC(C)CCC(C)C)ccc1N
InChIInChI=1S/C16H26N2OS/c1-11(2)5-6-13(4)18-16(19)10-20-14-7-8-15(17)12(3)9-14/h7-9,11,13H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyYRMSMYWUORKGBR-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.61
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-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79126761
2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79141614
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79134546
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79148103
2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79149634
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128325
2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 2954459
2-(4-amino-3-cyanophenyl)sulfanyl-N-propan-2-ylacetamide
CID 114233216
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide (CID 79148077) is 2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide is Cc1cc(SCC(=O)NC(C)CCC(C)C)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is YRMSMYWUORKGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11(2)5-6-13(4)18-16(19)10-20-14-7-8-15(17)12(3)9-14/h7-9,11,13H,5-6,10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 294.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 79148077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).