5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide

C20H25NO3S — CID 55914870

IUPAC5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NC(c2cccs2)C(C)C)cc1
InChIInChI=1S/C20H25NO3S/c1-14(2)20(18-7-5-13-25-18)21-19(23)8-4-6-17(22)15-9-11-16(24-3)12-10-15/h5,7,9-14,20H,4,6,8H2,1-3H3,(H,21,23)
InChIKeyHKDABKCALVFRRC-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.62
Rot. Bonds9

About 5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide

5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide (PubChem CID 55914870) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide
PubChem CID55914870
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NC(c2cccs2)C(C)C)cc1
InChIInChI=1S/C20H25NO3S/c1-14(2)20(18-7-5-13-25-18)21-19(23)8-4-6-17(22)15-9-11-16(24-3)12-10-15/h5,7,9-14,20H,4,6,8H2,1-3H3,(H,21,23)
InChIKeyHKDABKCALVFRRC-UHFFFAOYSA-N
XLogP4.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46628604
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061
5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
(2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid
CID 119367142
methyl 4-(4-methoxyphenyl)-4-oxo-2-thiophen-2-ylbutanoate
CID 54343280
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
4-ethoxy-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 46678584
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
2-(2-methoxyphenoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46828508
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide (CID 55914870) is 5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NC(c2cccs2)C(C)C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide?
The InChIKey is HKDABKCALVFRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-14(2)20(18-7-5-13-25-18)21-19(23)8-4-6-17(22)15-9-11-16(24-3)12-10-15/h5,7,9-14,20H,4,6,8H2,1-3H3,(H,21,23).
What are the key properties of 5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide?
5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide has a molecular weight of 359.49 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide is sourced from PubChem (CID 55914870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).