2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide

C19H23NO2S2 — CID 44759178

IUPAC2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
SMILESCSc1ccc(C(=O)CC(C)(C)C(=O)NCCc2cccs2)cc1
InChIInChI=1S/C19H23NO2S2/c1-19(2,18(22)20-11-10-16-5-4-12-24-16)13-17(21)14-6-8-15(23-3)9-7-14/h4-9,12H,10-11,13H2,1-3H3,(H,20,22)
InChIKeyVZLFWDQYWQSZDT-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.43
Rot. Bonds8

About 2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide

2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 44759178) has the molecular formula C19H23NO2S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID44759178
Molecular FormulaC19H23NO2S2
Molecular Weight361.53 g/mol
Exact Mass361.12
IUPAC Name2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
SMILESCSc1ccc(C(=O)CC(C)(C)C(=O)NCCc2cccs2)cc1
InChIInChI=1S/C19H23NO2S2/c1-19(2,18(22)20-11-10-16-5-4-12-24-16)13-17(21)14-6-8-15(23-3)9-7-14/h4-9,12H,10-11,13H2,1-3H3,(H,20,22)
InChIKeyVZLFWDQYWQSZDT-UHFFFAOYSA-N
XLogP4.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157089
2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685
3-amino-3-methyl-1-(4-methylsulfanylphenyl)butan-1-one
CID 116915756
tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
CID 27770407
tert-butyl 2-oxo-2-(2-thiophen-2-ylethylamino)acetate
CID 115141760
3,3-dimethyl-5-oxo-5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 62934552
4-amino-3,3-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157405
2-[(4-methylsulfanylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111079364
(2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 124608254
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide (CID 44759178) is 2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide is CSc1ccc(C(=O)CC(C)(C)C(=O)NCCc2cccs2)cc1.
What is the InChIKey of 2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is VZLFWDQYWQSZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S2/c1-19(2,18(22)20-11-10-16-5-4-12-24-16)13-17(21)14-6-8-15(23-3)9-7-14/h4-9,12H,10-11,13H2,1-3H3,(H,20,22).
What are the key properties of 2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide?
2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 361.53 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 44759178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).