5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

C17H19ClN2O3S — CID 119453518

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(-c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C17H18N2O3S.ClH/c20-17(19-12-5-6-18-10-12)16-4-3-15(23-16)11-1-2-13-14(9-11)22-8-7-21-13;/h1-4,9,12,18H,5-8,10H2,(H,19,20);1H
InChIKeyYWZZAHOMLYGEQD-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.70
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 119453518) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
PubChem CID119453518
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(-c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C17H18N2O3S.ClH/c20-17(19-12-5-6-18-10-12)16-4-3-15(23-16)11-1-2-13-14(9-11)22-8-7-21-13;/h1-4,9,12,18H,5-8,10H2,(H,19,20);1H
InChIKeyYWZZAHOMLYGEQD-UHFFFAOYSA-N
XLogP2.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride 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

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120602550
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride
CID 120944955
5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 119426767
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
CID 17491051
N-[2-(cyclohexanecarbonylamino)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 55805782
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pentylthiophene-2-carboxamide
CID 35812191
N-(3-aminobutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide;hydrochloride
CID 119498871
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453757
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-morpholin-4-ylmethanone
CID 18105362
5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557411
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pyrrolidin-3-ylpropanamide
CID 119452447

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (CID 119453518) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccc(-c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is YWZZAHOMLYGEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S.ClH/c20-17(19-12-5-6-18-10-12)16-4-3-15(23-16)11-1-2-13-14(9-11)22-8-7-21-13;/h1-4,9,12,18H,5-8,10H2,(H,19,20);1H.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119453518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).