5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide

C13H21N3O3S — CID 103508226

IUPAC5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
SMILESCCC(COC)Nc1sc(C(C)=O)c(N)c1C(=O)NC
InChIInChI=1S/C13H21N3O3S/c1-5-8(6-19-4)16-13-9(12(18)15-3)10(14)11(20-13)7(2)17/h8,16H,5-6,14H2,1-4H3,(H,15,18)
InChIKeyBDSAWLAPRZWHOV-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.73
Rot. Bonds7

About 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide

5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide (PubChem CID 103508226) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
PubChem CID103508226
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
SMILESCCC(COC)Nc1sc(C(C)=O)c(N)c1C(=O)NC
InChIInChI=1S/C13H21N3O3S/c1-5-8(6-19-4)16-13-9(12(18)15-3)10(14)11(20-13)7(2)17/h8,16H,5-6,14H2,1-4H3,(H,15,18)
InChIKeyBDSAWLAPRZWHOV-UHFFFAOYSA-N
XLogP1.73
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-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

4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
CID 103508217
methyl 3-amino-4-(methylcarbamoyl)-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424038
1-[3-amino-4-cyclopropyl-5-(1-methoxybutan-2-ylamino)thiophen-2-yl]ethanone
CID 103508167
3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103508194
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103425033
5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
CID 103427047
1-[3-amino-4-methoxy-5-(pentan-3-ylamino)thiophen-2-yl]ethanone
CID 103424099
3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103508186
methyl 4-amino-2-(1-methoxypropan-2-ylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103425071
3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
CID 114267286
ethyl 3-amino-4-cyano-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxylate
CID 103508205

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide (CID 103508226) is 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide is CCC(COC)Nc1sc(C(C)=O)c(N)c1C(=O)NC.
What is the InChIKey of 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?
The InChIKey is BDSAWLAPRZWHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-5-8(6-19-4)16-13-9(12(18)15-3)10(14)11(20-13)7(2)17/h8,16H,5-6,14H2,1-4H3,(H,15,18).
What are the key properties of 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?
5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 103508226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).