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

C19H23NO2S — CID 7847474

IUPAC2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO2S/c1-19(2,3)14-9-11-15(12-10-14)23-13-18(21)20-16-7-5-6-8-17(16)22-4/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyWHURTGWVYDBRNW-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.72
Rot. Bonds5

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

2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 7847474) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID7847474
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO2S/c1-19(2,3)14-9-11-15(12-10-14)23-13-18(21)20-16-7-5-6-8-17(16)22-4/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyWHURTGWVYDBRNW-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 29371198
2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498329
N-[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630801
2-[[5-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 19639427
2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18907954
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 7976711
2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid
CID 82033021
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
8-[[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22786561

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide (CID 7847474) is 2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is WHURTGWVYDBRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-19(2,3)14-9-11-15(12-10-14)23-13-18(21)20-16-7-5-6-8-17(16)22-4/h5-12H,13H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 7847474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).