N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide

C17H20N2OS — CID 47077029

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(C3CC3)C2)sc2ccccc12
InChIInChI=1S/C17H20N2OS/c1-11-14-4-2-3-5-15(14)21-16(11)17(20)18-12-8-9-19(10-12)13-6-7-13/h2-5,12-13H,6-10H2,1H3,(H,18,20)
InChIKeyKCDZZPLLSVVXIQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.18
Rot. Bonds3

About N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide

N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 47077029) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID47077029
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(C3CC3)C2)sc2ccccc12
InChIInChI=1S/C17H20N2OS/c1-11-14-4-2-3-5-15(14)21-16(11)17(20)18-12-8-9-19(10-12)13-6-7-13/h2-5,12-13H,6-10H2,1H3,(H,18,20)
InChIKeyKCDZZPLLSVVXIQ-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide (CID 47077029) is N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC2CCN(C3CC3)C2)sc2ccccc12.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is KCDZZPLLSVVXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-14-4-2-3-5-15(14)21-16(11)17(20)18-12-8-9-19(10-12)13-6-7-13/h2-5,12-13H,6-10H2,1H3,(H,18,20).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide?
N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 47077029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).