N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide

C20H23NO2S — CID 2969914

IUPACN-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H23NO2S/c1-14(22)15-6-5-7-17(12-15)21-19(23)13-24-18-10-8-16(9-11-18)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyOSMANRLBGYQLIK-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.92
Rot. Bonds5

About N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide

N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide (PubChem CID 2969914) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
PubChem CID2969914
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H23NO2S/c1-14(22)15-6-5-7-17(12-15)21-19(23)13-24-18-10-8-16(9-11-18)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyOSMANRLBGYQLIK-UHFFFAOYSA-N
XLogP4.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591501
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
N-(3-acetylphenyl)-2-[[5-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19639440
4-[2-(3-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 28513538
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7847490
ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
CID 9228238
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2524577

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide (CID 2969914) is N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide?
The InChIKey is OSMANRLBGYQLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-14(22)15-6-5-7-17(12-15)21-19(23)13-24-18-10-8-16(9-11-18)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide?
N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide has a molecular weight of 341.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide is sourced from PubChem (CID 2969914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).