5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide

C21H21N3O3S — CID 138490349

IUPAC5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2c(N)sc(C(=O)Nc3ccccc3)c2C)cc1
InChIInChI=1S/C21H21N3O3S/c1-13-17(20(25)23-12-14-8-10-16(27-2)11-9-14)19(22)28-18(13)21(26)24-15-6-4-3-5-7-15/h3-11H,12,22H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIXKYYINMNYZALT-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.83
Rot. Bonds6

About 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide

5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide (PubChem CID 138490349) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
PubChem CID138490349
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2c(N)sc(C(=O)Nc3ccccc3)c2C)cc1
InChIInChI=1S/C21H21N3O3S/c1-13-17(20(25)23-12-14-8-10-16(27-2)11-9-14)19(22)28-18(13)21(26)24-15-6-4-3-5-7-15/h3-11H,12,22H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIXKYYINMNYZALT-UHFFFAOYSA-N
XLogP3.83
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-anilino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652239
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
3-ethyl-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 725312
2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide
CID 2104820
N-(4-methoxyphenyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1047277
5-amino-N'-(4-methoxybenzylidene)-4-oxo-3-phenyl-3,4-dihydrothieno[3,4-d]pyridazine-1-carbohydrazide
CID 6871359
Ethyl 5-amino-4-((2-methoxyphenyl)carbamoyl)-3-methylthiophene-2-carboxylate
CID 828966
1-(5-(4-((4-Methoxybenzylamino)methyl)phenyl)-3-carbamoylthiophen-2-yl)urea
CID 44560808
Ethyl 2-amino-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 714560
Ethyl 2-amino-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 709464
4-Ethyl-2-{[3-(4-methoxyphenyl)propanoyl]amino}-5-methyl-3-thiophenecarboxamide
CID 903679
Methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071060

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide (CID 138490349) is 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide is COc1ccc(CNC(=O)c2c(N)sc(C(=O)Nc3ccccc3)c2C)cc1.
What is the InChIKey of 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The InChIKey is IXKYYINMNYZALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-13-17(20(25)23-12-14-8-10-16(27-2)11-9-14)19(22)28-18(13)21(26)24-15-6-4-3-5-7-15/h3-11H,12,22H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-N-[(4-methoxyphenyl)methyl]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).