N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide

C17H21NO2S — CID 86954121

IUPACN-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)c2cccs2)cc1C
InChIInChI=1S/C17H21NO2S/c1-5-20-14-9-8-13(11-12(14)2)18-16(19)17(3,4)15-7-6-10-21-15/h6-11H,5H2,1-4H3,(H,18,19)
InChIKeyRLIOCLHTFUARIG-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.37
Rot. Bonds5

About N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide

N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide (PubChem CID 86954121) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide
PubChem CID86954121
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)c2cccs2)cc1C
InChIInChI=1S/C17H21NO2S/c1-5-20-14-9-8-13(11-12(14)2)18-16(19)17(3,4)15-7-6-10-21-15/h6-11H,5H2,1-4H3,(H,18,19)
InChIKeyRLIOCLHTFUARIG-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 47416651
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide
CID 86950140
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide
CID 90500244
2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 86880687
N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide
CID 139604604
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide (CID 86954121) is N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide is CCOc1ccc(NC(=O)C(C)(C)c2cccs2)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide?
The InChIKey is RLIOCLHTFUARIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-5-20-14-9-8-13(11-12(14)2)18-16(19)17(3,4)15-7-6-10-21-15/h6-11H,5H2,1-4H3,(H,18,19).
What are the key properties of N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide?
N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 303.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 86954121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).