N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide

C20H24N2O2S — CID 18907338

IUPACN-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(SCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H24N2O2S/c1-20(2,3)13-18(23)22-16-10-7-11-17(12-16)25-14-19(24)21-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySZIYYGSOWNYAPN-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.79
Rot. Bonds6

About N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide

N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide (PubChem CID 18907338) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide
PubChem CID18907338
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(SCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H24N2O2S/c1-20(2,3)13-18(23)22-16-10-7-11-17(12-16)25-14-19(24)21-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySZIYYGSOWNYAPN-UHFFFAOYSA-N
XLogP4.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907359
4-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid
CID 19316379
N-[3-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18900590
2-(3-aminophenyl)sulfanyl-N-phenylacetamide
CID 18894236
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-[3-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18900602
N-(4-iodophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316369
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N-[4-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22780247
N-(2,6-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316362
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902730

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide (CID 18907338) is N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cccc(SCC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide?
The InChIKey is SZIYYGSOWNYAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-20(2,3)13-18(23)22-16-10-7-11-17(12-16)25-14-19(24)21-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide?
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide has a molecular weight of 356.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 18907338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).