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

C20H24N2O2S — CID 40604506

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-14(23)21-16-9-11-18(12-10-16)25-13-19(24)22-17-7-5-15(6-8-17)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyMRKCYFRHBFMRKW-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.67
Rot. Bonds5

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

2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide (PubChem CID 40604506) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
PubChem CID40604506
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-14(23)21-16-9-11-18(12-10-16)25-13-19(24)22-17-7-5-15(6-8-17)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyMRKCYFRHBFMRKW-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059347
4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7847490
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 2969914
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
N-(4-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide
CID 7652743
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-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide (CID 40604506) is 2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide?
The InChIKey is MRKCYFRHBFMRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14(23)21-16-9-11-18(12-10-16)25-13-19(24)22-17-7-5-15(6-8-17)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide has a molecular weight of 356.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 40604506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).