4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide

C17H19NO2S — CID 35009611

IUPAC4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2cccs2)cc1C
InChIInChI=1S/C17H19NO2S/c1-12-5-6-14(10-13(12)2)16(19)7-8-17(20)18-11-15-4-3-9-21-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)
InChIKeyOLUCRCIXRKMVBD-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.64
Rot. Bonds6

About 4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide

4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 35009611) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
PubChem CID35009611
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2cccs2)cc1C
InChIInChI=1S/C17H19NO2S/c1-12-5-6-14(10-13(12)2)16(19)7-8-17(20)18-11-15-4-3-9-21-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)
InChIKeyOLUCRCIXRKMVBD-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32989416
4-(3,4-dimethylphenyl)-4-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 110632073
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 9116198
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
CID 9375029
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734
N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 18154236
ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 38415489
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide (CID 35009611) is 4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide is Cc1ccc(C(=O)CCC(=O)NCc2cccs2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is OLUCRCIXRKMVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-5-6-14(10-13(12)2)16(19)7-8-17(20)18-11-15-4-3-9-21-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20).
What are the key properties of 4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide?
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 301.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 35009611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).