4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide

C18H21NO3S — CID 30235975

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide
SMILESCCCOc1ccccc1NC(=O)CCC(=O)c1ccc(C)s1
InChIInChI=1S/C18H21NO3S/c1-3-12-22-16-7-5-4-6-14(16)19-18(21)11-9-15(20)17-10-8-13(2)23-17/h4-8,10H,3,9,11-12H2,1-2H3,(H,19,21)
InChIKeyAFOGTNCKOLZCCU-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.45
Rot. Bonds8

About 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide

4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide (PubChem CID 30235975) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide
PubChem CID30235975
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide
SMILESCCCOc1ccccc1NC(=O)CCC(=O)c1ccc(C)s1
InChIInChI=1S/C18H21NO3S/c1-3-12-22-16-7-5-4-6-14(16)19-18(21)11-9-15(20)17-10-8-13(2)23-17/h4-8,10H,3,9,11-12H2,1-2H3,(H,19,21)
InChIKeyAFOGTNCKOLZCCU-UHFFFAOYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 33251204
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
CID 43222115
N-[2-(2-methoxyethoxy)-4-methylphenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55950666
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
CID 39759961
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 78878756
N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide
CID 97098873
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
3-(4-fluorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 31997887

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide (CID 30235975) is 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide is CCCOc1ccccc1NC(=O)CCC(=O)c1ccc(C)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide?
The InChIKey is AFOGTNCKOLZCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-3-12-22-16-7-5-4-6-14(16)19-18(21)11-9-15(20)17-10-8-13(2)23-17/h4-8,10H,3,9,11-12H2,1-2H3,(H,19,21).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide has a molecular weight of 331.44 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide is sourced from PubChem (CID 30235975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).