N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride

C17H19ClN2O2S — CID 119553741

IUPACN-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1C(=O)c1cccs1)C1CCNC1.Cl
InChIInChI=1S/C17H18N2O2S.ClH/c1-19(12-8-9-18-11-12)17(21)14-6-3-2-5-13(14)16(20)15-7-4-10-22-15;/h2-7,10,12,18H,8-9,11H2,1H3;1H
InChIKeyOQOSGYYWOMQSHE-UHFFFAOYSA-N
MW350.87 g/mol
LogP2.83
Rot. Bonds4

About N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride

N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride (PubChem CID 119553741) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
PubChem CID119553741
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1C(=O)c1cccs1)C1CCNC1.Cl
InChIInChI=1S/C17H18N2O2S.ClH/c1-19(12-8-9-18-11-12)17(21)14-6-3-2-5-13(14)16(20)15-7-4-10-22-15;/h2-7,10,12,18H,8-9,11H2,1H3;1H
InChIKeyOQOSGYYWOMQSHE-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613629
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 119553083
N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 119553932
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 68937823
N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide
CID 119551706
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
N,2-dimethyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119553530
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613861

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride (CID 119553741) is N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride is CN(C(=O)c1ccccc1C(=O)c1cccs1)C1CCNC1.Cl.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride?
The InChIKey is OQOSGYYWOMQSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S.ClH/c1-19(12-8-9-18-11-12)17(21)14-6-3-2-5-13(14)16(20)15-7-4-10-22-15;/h2-7,10,12,18H,8-9,11H2,1H3;1H.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride?
N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride is sourced from PubChem (CID 119553741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).