4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide

C18H21NO2S — CID 32958226

IUPAC4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCc2sccc2C)cc1
InChIInChI=1S/C18H21NO2S/c1-3-14-4-6-15(7-5-14)16(20)8-9-18(21)19-12-17-13(2)10-11-22-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,19,21)
InChIKeyYOUXYMWXZYWNBQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.90
Rot. Bonds7

About 4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide

4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide (PubChem CID 32958226) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
PubChem CID32958226
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCc2sccc2C)cc1
InChIInChI=1S/C18H21NO2S/c1-3-14-4-6-15(7-5-14)16(20)8-9-18(21)19-12-17-13(2)10-11-22-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,19,21)
InChIKeyYOUXYMWXZYWNBQ-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32958843
4-(3,4-dimethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32989416
1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421833
3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115173840
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
3-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-2-methylpropanoic acid
CID 120687518
4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 32988009
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 94041532
N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 9393708
4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 31165478

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide (CID 32958226) is 4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)NCc2sccc2C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide?
The InChIKey is YOUXYMWXZYWNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-14-4-6-15(7-5-14)16(20)8-9-18(21)19-12-17-13(2)10-11-22-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,19,21).
What are the key properties of 4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide?
4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide has a molecular weight of 315.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide is sourced from PubChem (CID 32958226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).