4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide

C20H24N2O2S — CID 27229119

IUPAC4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1cccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H24N2O2S/c1-20(2,3)15-10-8-14(9-11-15)19(24)21-13-18(23)22-16-6-5-7-17(12-16)25-4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyAAFDGIYGLLSRSR-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.07
Rot. Bonds5

About 4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide

4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide (PubChem CID 27229119) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
PubChem CID27229119
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1cccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H24N2O2S/c1-20(2,3)15-10-8-14(9-11-15)19(24)21-13-18(23)22-16-6-5-7-17(12-16)25-4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyAAFDGIYGLLSRSR-UHFFFAOYSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9402849
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
4-tert-butyl-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 31063301
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 17475270
N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9402829
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
4-(4-tert-butylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 18229409
4-tert-butyl-N-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 39042630
4-tert-butyl-N-[2-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 38313833
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide (CID 27229119) is 4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide is CSc1cccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide?
The InChIKey is AAFDGIYGLLSRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-20(2,3)15-10-8-14(9-11-15)19(24)21-13-18(23)22-16-6-5-7-17(12-16)25-4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide has a molecular weight of 356.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 27229119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).