2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide

C15H24N2OS — CID 79147428

IUPAC2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCc1cccc(SCC(=O)N(C(C)C)C(C)C)c1N
InChIInChI=1S/C15H24N2OS/c1-10(2)17(11(3)4)14(18)9-19-13-8-6-7-12(5)15(13)16/h6-8,10-11H,9,16H2,1-5H3
InChIKeyUKZISZLIZANXDK-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide

2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 79147428) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID79147428
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCc1cccc(SCC(=O)N(C(C)C)C(C)C)c1N
InChIInChI=1S/C15H24N2OS/c1-10(2)17(11(3)4)14(18)9-19-13-8-6-7-12(5)15(13)16/h6-8,10-11H,9,16H2,1-5H3
InChIKeyUKZISZLIZANXDK-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79130662
2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
CID 79130628
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79147255
2-(2-amino-3-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79146657
tert-butyl 2-(2-amino-3-methylphenyl)sulfanylacetate
CID 79147155
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 79129205
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 79147398
2-(2-amino-3-methylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79147339
2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline
CID 79172755
2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 79129764
2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
CID 79146926
1-[2-(2-amino-3-methylphenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79146924

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide (CID 79147428) is 2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide is Cc1cccc(SCC(=O)N(C(C)C)C(C)C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is UKZISZLIZANXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)17(11(3)4)14(18)9-19-13-8-6-7-12(5)15(13)16/h6-8,10-11H,9,16H2,1-5H3.
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide?
2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 280.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 79147428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).