5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide

C14H13N3O2S — CID 831625

IUPAC5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(N)c(C#N)c1C
InChIInChI=1S/C14H13N3O2S/c1-8-9(7-15)13(16)20-12(8)14(18)17-10-5-3-4-6-11(10)19-2/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyDNAYOQWIEGYORL-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.77
Rot. Bonds3

About 5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide

5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 831625) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide
PubChem CID831625
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(N)c(C#N)c1C
InChIInChI=1S/C14H13N3O2S/c1-8-9(7-15)13(16)20-12(8)14(18)17-10-5-3-4-6-11(10)19-2/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyDNAYOQWIEGYORL-UHFFFAOYSA-N
XLogP2.77
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide
CID 1107381
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
N-(2-methoxyphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28867954
2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide
CID 3660329
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
methyl 2-[(2-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131134
1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 43551365
4-cyano-N-(2-fluorophenyl)-3-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]thiophene-2-carboxamide
CID 1131032
methyl 2-[(3-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071062
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 23007657
ethyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
CID 1038818
ethyl 2-(cyclopropanecarbonylamino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1092221

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide (CID 831625) is 5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide is COc1ccccc1NC(=O)c1sc(N)c(C#N)c1C.
What is the InChIKey of 5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is DNAYOQWIEGYORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-9(7-15)13(16)20-12(8)14(18)17-10-5-3-4-6-11(10)19-2/h3-6H,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide?
5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 831625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).