2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide

C15H16N2O4S — CID 2091135

IUPAC2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1OC
InChIInChI=1S/C15H16N2O4S/c1-20-11-4-3-9(7-12(11)21-2)8-13(18)17-15-10(14(16)19)5-6-22-15/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyYYFFDVXAQUCDGE-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.05
Rot. Bonds6

About 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 2091135) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
PubChem CID2091135
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1OC
InChIInChI=1S/C15H16N2O4S/c1-20-11-4-3-9(7-12(11)21-2)8-13(18)17-15-10(14(16)19)5-6-22-15/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyYYFFDVXAQUCDGE-UHFFFAOYSA-N
XLogP2.05
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 8586967
N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 16911918
2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 16849419
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 896829
2-[[2-(3-iodophenyl)acetyl]amino]thiophene-3-carboxamide
CID 54585084
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968819
N-(2-amino-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867945
2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide
CID 1246796
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 4647812

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide (CID 2091135) is 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide is COc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1OC.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is YYFFDVXAQUCDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-11-4-3-9(7-12(11)21-2)8-13(18)17-15-10(14(16)19)5-6-22-15/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2091135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).