N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide

C17H17NO4S — CID 108807760

IUPACN-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(C(=O)CNC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C17H17NO4S/c1-22-13-6-4-12(5-7-13)15(20)11-18-17(21)9-8-14(19)16-3-2-10-23-16/h2-7,10H,8-9,11H2,1H3,(H,18,21)
InChIKeyIUXZGNQHZVZXCD-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.72
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108807760) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108807760
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(C(=O)CNC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C17H17NO4S/c1-22-13-6-4-12(5-7-13)15(20)11-18-17(21)9-8-14(19)16-3-2-10-23-16/h2-7,10H,8-9,11H2,1H3,(H,18,21)
InChIKeyIUXZGNQHZVZXCD-UHFFFAOYSA-N
XLogP2.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
1-[(4-methoxyphenyl)methyl]-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]thiourea
CID 9478932
(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate
CID 8788738
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
1-(4-ethoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126061913
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 24515681
4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide
CID 27782894
propan-2-yl 3-(4-methoxyphenyl)-3-[3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoylamino]propanoate
CID 24516790
4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97240938
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46653479
4-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide
CID 108743971

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 108807760) is N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide is COc1ccc(C(=O)CNC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is IUXZGNQHZVZXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-22-13-6-4-12(5-7-13)15(20)11-18-17(21)9-8-14(19)16-3-2-10-23-16/h2-7,10H,8-9,11H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 331.39 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108807760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).