N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide

C20H25NO4S — CID 24982443

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide
SMILESCOc1cccc(CN(C)C(=O)CCC(=O)c2cc(C)sc2C)c1OC
InChIInChI=1S/C20H25NO4S/c1-13-11-16(14(2)26-13)17(22)9-10-19(23)21(3)12-15-7-6-8-18(24-4)20(15)25-5/h6-8,11H,9-10,12H2,1-5H3
InChIKeyVGBDUNDEJFTISJ-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.00
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide

N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide (PubChem CID 24982443) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide
PubChem CID24982443
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide
SMILESCOc1cccc(CN(C)C(=O)CCC(=O)c2cc(C)sc2C)c1OC
InChIInChI=1S/C20H25NO4S/c1-13-11-16(14(2)26-13)17(22)9-10-19(23)21(3)12-15-7-6-8-18(24-4)20(15)25-5/h6-8,11H,9-10,12H2,1-5H3
InChIKeyVGBDUNDEJFTISJ-UHFFFAOYSA-N
XLogP4.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-methylthiophen-2-yl)methanone
CID 1954203
Methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
CID 3382837
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4879883
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 18111967
5-(2-Fluoro-3-methoxyphenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56649596
N-(3-Methoxybenzyl)-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934037
N-(3-Methoxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934039
N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934183
N-benzyl-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934185
N-(3-Hydroxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934324
N-(3-Hydroxybenzyl)-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934325

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide (CID 24982443) is N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide is COc1cccc(CN(C)C(=O)CCC(=O)c2cc(C)sc2C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide?
The InChIKey is VGBDUNDEJFTISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-13-11-16(14(2)26-13)17(22)9-10-19(23)21(3)12-15-7-6-8-18(24-4)20(15)25-5/h6-8,11H,9-10,12H2,1-5H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide?
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide has a molecular weight of 375.49 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 24982443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).