3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide

C12H12N2O2S — CID 4278270

IUPAC3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(N)=O)s2)cc1
InChIInChI=1S/C12H12N2O2S/c1-16-8-4-2-7(3-5-8)10-6-9(13)11(17-10)12(14)15/h2-6H,13H2,1H3,(H2,14,15)
InChIKeyOEUITKOCUWEFOB-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.10
Rot. Bonds3

About 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide

3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 4278270) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID4278270
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(N)=O)s2)cc1
InChIInChI=1S/C12H12N2O2S/c1-16-8-4-2-7(3-5-8)10-6-9(13)11(17-10)12(14)15/h2-6H,13H2,1H3,(H2,14,15)
InChIKeyOEUITKOCUWEFOB-UHFFFAOYSA-N
XLogP2.10
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-Amino-5-(4-Methoxyphenyl)-2-Thiophenecarboxylate
CID 825579
6-(4-methoxyphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135421655
(2-Amino-5-ethyl-3-thienyl)(4-methoxyphenyl)methanone
CID 2814015
Methyl 3-amino-5-phenylthiophene-2-carboxylate
CID 700562
3-Amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one
CID 900061
2-(chloromethyl)-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4(1H)-one
CID 135417169
Ethyl 3-acetamido-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 793387
Methyl 3-(2-(4-methoxyphenyl)acetamido)thiophene-2-carboxylate
CID 897877
3-[(Aminocarbonyl)amino]-5-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 9943895
3-[(Aminocarbonyl)amino]-5-(3-methoxyphenyl)-2-thiophenecarboxamide
CID 9965828
Methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate
CID 72703809
2-(isopropylamino)-6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136299420

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide (CID 4278270) is 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2cc(N)c(C(N)=O)s2)cc1.
What is the InChIKey of 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is OEUITKOCUWEFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-16-8-4-2-7(3-5-8)10-6-9(13)11(17-10)12(14)15/h2-6H,13H2,1H3,(H2,14,15).
What are the key properties of 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide?
3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4278270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).