2-(4-aminobutanoylamino)thiophene-3-carboxamide

C9H13N3O2S — CID 61251927

IUPAC2-(4-aminobutanoylamino)thiophene-3-carboxamide
SMILESNCCCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C9H13N3O2S/c10-4-1-2-7(13)12-9-6(8(11)14)3-5-15-9/h3,5H,1-2,4,10H2,(H2,11,14)(H,12,13)
InChIKeyWLBKIJVNFMXOKJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.52
Rot. Bonds5

About 2-(4-aminobutanoylamino)thiophene-3-carboxamide

2-(4-aminobutanoylamino)thiophene-3-carboxamide (PubChem CID 61251927) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)thiophene-3-carboxamide
PubChem CID61251927
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-(4-aminobutanoylamino)thiophene-3-carboxamide
SMILESNCCCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C9H13N3O2S/c10-4-1-2-7(13)12-9-6(8(11)14)3-5-15-9/h3,5H,1-2,4,10H2,(H2,11,14)(H,12,13)
InChIKeyWLBKIJVNFMXOKJ-UHFFFAOYSA-N
XLogP0.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-aminobutanoylamino)thiophene-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

2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
CID 60660981
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475
ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 7254924
2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
CID 47136233
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
CID 115435197
(E)-4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 6118974
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide
CID 115437776

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(4-aminobutanoylamino)thiophene-3-carboxamide (CID 61251927) is 2-(4-aminobutanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(4-aminobutanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(4-aminobutanoylamino)thiophene-3-carboxamide is NCCCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-(4-aminobutanoylamino)thiophene-3-carboxamide?
The InChIKey is WLBKIJVNFMXOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-4-1-2-7(13)12-9-6(8(11)14)3-5-15-9/h3,5H,1-2,4,10H2,(H2,11,14)(H,12,13).
What are the key properties of 2-(4-aminobutanoylamino)thiophene-3-carboxamide?
2-(4-aminobutanoylamino)thiophene-3-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 61251927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).