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

C14H22N2OS — CID 43302612

IUPAC2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ccc(SCC(=O)NC(C)C(C)C)c(N)c1
InChIInChI=1S/C14H22N2OS/c1-9(2)11(4)16-14(17)8-18-13-6-5-10(3)7-12(13)15/h5-7,9,11H,8,15H2,1-4H3,(H,16,17)
InChIKeyKPAVPKPNVTZJSA-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.83
Rot. Bonds5

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

2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 43302612) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID43302612
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ccc(SCC(=O)NC(C)C(C)C)c(N)c1
InChIInChI=1S/C14H22N2OS/c1-9(2)11(4)16-14(17)8-18-13-6-5-10(3)7-12(13)15/h5-7,9,11H,8,15H2,1-4H3,(H,16,17)
InChIKeyKPAVPKPNVTZJSA-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-4-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 43302733
2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43302362
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43251162
2-(2-amino-4-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 43302605
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79147255
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
2-(2-amino-4-methylphenyl)sulfanyl-N-prop-2-enylacetamide
CID 43302751
2-(2-amino-4-methylphenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43302530
2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43299357
2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79149634
2-(2-amino-4-methylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 55181885

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (CID 43302612) is 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is Cc1ccc(SCC(=O)NC(C)C(C)C)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is KPAVPKPNVTZJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9(2)11(4)16-14(17)8-18-13-6-5-10(3)7-12(13)15/h5-7,9,11H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 43302612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).