N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide

C14H16N2OS — CID 60866896

IUPACN-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)Nc1ccc2sccc2c1
InChIInChI=1S/C14H16N2OS/c17-14(5-7-15-11-1-2-11)16-12-3-4-13-10(9-12)6-8-18-13/h3-4,6,8-9,11,15H,1-2,5,7H2,(H,16,17)
InChIKeyMQQNNJHXHPJBFK-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.98
Rot. Bonds5

About N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide

N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide (PubChem CID 60866896) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide
PubChem CID60866896
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)Nc1ccc2sccc2c1
InChIInChI=1S/C14H16N2OS/c17-14(5-7-15-11-1-2-11)16-12-3-4-13-10(9-12)6-8-18-13/h3-4,6,8-9,11,15H,1-2,5,7H2,(H,16,17)
InChIKeyMQQNNJHXHPJBFK-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide 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-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
CID 109031667
4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
CID 60848684
N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242293
3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 60841920
N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544104
3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
CID 62813705
5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid
CID 61160112

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide (CID 60866896) is N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide is O=C(CCNC1CC1)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide?
The InChIKey is MQQNNJHXHPJBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14(5-7-15-11-1-2-11)16-12-3-4-13-10(9-12)6-8-18-13/h3-4,6,8-9,11,15H,1-2,5,7H2,(H,16,17).
What are the key properties of N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide?
N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide has a molecular weight of 260.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 60866896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).