2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide

C19H18N2O2S — CID 722851

IUPAC2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(N)sc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H18N2O2S/c1-12-16(18(20)24-17(12)13-6-4-3-5-7-13)19(22)21-14-8-10-15(23-2)11-9-14/h3-11H,20H2,1-2H3,(H,21,22)
InChIKeyXZQQJTYZNVAWRS-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.57
Rot. Bonds4

About 2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide

2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide (PubChem CID 722851) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide
PubChem CID722851
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(N)sc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H18N2O2S/c1-12-16(18(20)24-17(12)13-6-4-3-5-7-13)19(22)21-14-8-10-15(23-2)11-9-14/h3-11H,20H2,1-2H3,(H,21,22)
InChIKeyXZQQJTYZNVAWRS-UHFFFAOYSA-N
XLogP4.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
CID 4771964
2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide
CID 63273246
2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide
CID 3303644
5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide
CID 162787157
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
2-amino-4-methyl-N-[C-methyl-N-[3-(methylamino)propyl]carbonimidoyl]-5-phenylthiophene-3-carboxamide
CID 123528404
ethyl 2-benzamido-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2167737
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 114830947

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide (CID 722851) is 2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide is COc1ccc(NC(=O)c2c(N)sc(-c3ccccc3)c2C)cc1.
What is the InChIKey of 2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide?
The InChIKey is XZQQJTYZNVAWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-12-16(18(20)24-17(12)13-6-4-3-5-7-13)19(22)21-14-8-10-15(23-2)11-9-14/h3-11H,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide?
2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 722851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).