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

C16H26N2OS — CID 79141614

IUPAC2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
SMILESCc1ccc(N)cc1SCC(=O)NC(C)CCC(C)C
InChIInChI=1S/C16H26N2OS/c1-11(2)5-7-13(4)18-16(19)10-20-15-9-14(17)8-6-12(15)3/h6,8-9,11,13H,5,7,10,17H2,1-4H3,(H,18,19)
InChIKeyZGHLIKDZZSMICW-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.61
Rot. Bonds7

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

2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide (PubChem CID 79141614) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
PubChem CID79141614
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
SMILESCc1ccc(N)cc1SCC(=O)NC(C)CCC(C)C
InChIInChI=1S/C16H26N2OS/c1-11(2)5-7-13(4)18-16(19)10-20-15-9-14(17)8-6-12(15)3/h6,8-9,11,13H,5,7,10,17H2,1-4H3,(H,18,19)
InChIKeyZGHLIKDZZSMICW-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-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79134546
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79148077
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79140774
2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 79140976
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
2-(5-amino-2-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79141432
2-(5-amino-2-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79141959
2-(4-amino-2-bromophenyl)sulfanyl-N-heptan-2-ylacetamide
CID 82840579
3-(5-amino-2-methylphenyl)sulfanyl-N-methylpropanamide
CID 79140974
2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79130440
2-(3-amino-2-methylphenyl)sulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 79128909
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576401

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide (CID 79141614) is 2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide is Cc1ccc(N)cc1SCC(=O)NC(C)CCC(C)C.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is ZGHLIKDZZSMICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11(2)5-7-13(4)18-16(19)10-20-15-9-14(17)8-6-12(15)3/h6,8-9,11,13H,5,7,10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
2-(5-amino-2-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-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 79141614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).