2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide

C14H22N2OS — CID 79142633

IUPAC2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
SMILESCc1ccc(N)c(SCC(=O)NCCC(C)C)c1
InChIInChI=1S/C14H22N2OS/c1-10(2)6-7-16-14(17)9-18-13-8-11(3)4-5-12(13)15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyNIBCDDXFCLLBGW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.83
Rot. Bonds6

About 2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide

2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide (PubChem CID 79142633) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
PubChem CID79142633
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
SMILESCc1ccc(N)c(SCC(=O)NCCC(C)C)c1
InChIInChI=1S/C14H22N2OS/c1-10(2)6-7-16-14(17)9-18-13-8-11(3)4-5-12(13)15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyNIBCDDXFCLLBGW-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.83
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-ethylacetamide
CID 79142549
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 79142889
2-(2-amino-5-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79142290
2-(2-amino-5-methylphenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 79128805
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
2-(2-amino-5-methylphenyl)sulfanylacetamide
CID 79142056
2-(2-amino-5-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79142309
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79126761

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide (CID 79142633) is 2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide is Cc1ccc(N)c(SCC(=O)NCCC(C)C)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide?
The InChIKey is NIBCDDXFCLLBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)6-7-16-14(17)9-18-13-8-11(3)4-5-12(13)15/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide?
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 79142633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).