2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide

C20H25NOS — CID 3309206

IUPAC2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25NOS/c1-5-15-6-10-17(11-7-15)21-19(22)14-23-18-12-8-16(9-13-18)20(2,3)4/h6-13H,5,14H2,1-4H3,(H,21,22)
InChIKeyWWMLYDOSOMDOQA-UHFFFAOYSA-N
MW327.49 g/mol
LogP5.28
Rot. Bonds5

About 2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide

2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide (PubChem CID 3309206) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
PubChem CID3309206
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25NOS/c1-5-15-6-10-17(11-7-15)21-19(22)14-23-18-12-8-16(9-13-18)20(2,3)4/h6-13H,5,14H2,1-4H3,(H,21,22)
InChIKeyWWMLYDOSOMDOQA-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7847490
N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059347
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
N-(4-tert-butylphenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7914417
N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 2969914
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 31888958
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
N-(4-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide
CID 7652743

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide (CID 3309206) is 2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide?
The InChIKey is WWMLYDOSOMDOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-5-15-6-10-17(11-7-15)21-19(22)14-23-18-12-8-16(9-13-18)20(2,3)4/h6-13H,5,14H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide?
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide has a molecular weight of 327.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 3309206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).