3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide

C15H19N3O2S — CID 103420717

IUPAC3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
SMILESCOc1c(N(C)Cc2ccc(C)cc2)sc(C(N)=O)c1N
InChIInChI=1S/C15H19N3O2S/c1-9-4-6-10(7-5-9)8-18(2)15-12(20-3)11(16)13(21-15)14(17)19/h4-7H,8,16H2,1-3H3,(H2,17,19)
InChIKeySMWAPRMBIZWLGX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds5

About 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide

3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide (PubChem CID 103420717) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
PubChem CID103420717
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
SMILESCOc1c(N(C)Cc2ccc(C)cc2)sc(C(N)=O)c1N
InChIInChI=1S/C15H19N3O2S/c1-9-4-6-10(7-5-9)8-18(2)15-12(20-3)11(16)13(21-15)14(17)19/h4-7H,8,16H2,1-3H3,(H2,17,19)
InChIKeySMWAPRMBIZWLGX-UHFFFAOYSA-N
XLogP2.38
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide 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

3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103420709
3-amino-4-cyano-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418147
3-amino-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421207
methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 43398385
methyl 2-amino-3-[methyl-[(4-methylphenyl)methyl]amino]benzoate
CID 115544640
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103422154
3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420730
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide
CID 103526720
3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide
CID 103420443
methyl 5-amino-2-[methyl-[(4-methylphenyl)methyl]amino]benzoate
CID 61305683
ethyl 4-amino-5-carbamoyl-2-[methyl(2-methylpropyl)amino]thiophene-3-carboxylate
CID 103421193

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide (CID 103420717) is 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide is COc1c(N(C)Cc2ccc(C)cc2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide?
The InChIKey is SMWAPRMBIZWLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-4-6-10(7-5-9)8-18(2)15-12(20-3)11(16)13(21-15)14(17)19/h4-7H,8,16H2,1-3H3,(H2,17,19).
What are the key properties of 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide?
3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 103420717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).