N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride

C16H21ClN2OS — CID 119531656

IUPACN-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1csc2ccccc12)C1CCNC1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-2-9-18(12-7-8-17-10-12)16(19)14-11-20-15-6-4-3-5-13(14)15;/h3-6,11-12,17H,2,7-10H2,1H3;1H
InChIKeyUJRDQOAZAWIWAY-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.54
Rot. Bonds4

About N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride

N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride (PubChem CID 119531656) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
PubChem CID119531656
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1csc2ccccc12)C1CCNC1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-2-9-18(12-7-8-17-10-12)16(19)14-11-20-15-6-4-3-5-13(14)15;/h3-6,11-12,17H,2,7-10H2,1H3;1H
InChIKeyUJRDQOAZAWIWAY-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide
CID 119531545
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetic acid
CID 55012787
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide
CID 60806004

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride (CID 119531656) is N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride is CCCN(C(=O)c1csc2ccccc12)C1CCNC1.Cl.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride?
The InChIKey is UJRDQOAZAWIWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c1-2-9-18(12-7-8-17-10-12)16(19)14-11-20-15-6-4-3-5-13(14)15;/h3-6,11-12,17H,2,7-10H2,1H3;1H.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride?
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119531656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).