5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

C16H19ClN2O3S2 — CID 119550414

IUPAC5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCNC1.Cl
InChIInChI=1S/C16H18N2O3S2.ClH/c1-18(12-9-10-17-11-12)16(19)14-7-8-15(22-14)23(20,21)13-5-3-2-4-6-13;/h2-8,12,17H,9-11H2,1H3;1H
InChIKeyURYTVSADHHTASH-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.44
Rot. Bonds4

About 5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 119550414) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
PubChem CID119550414
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCNC1.Cl
InChIInChI=1S/C16H18N2O3S2.ClH/c1-18(12-9-10-17-11-12)16(19)14-7-8-15(22-14)23(20,21)13-5-3-2-4-6-13;/h2-8,12,17H,9-11H2,1H3;1H
InChIKeyURYTVSADHHTASH-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119441510
5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
CID 71920351
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119551500
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 43602032
N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119553741
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613861
N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119549917
5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide
CID 53124472

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (CID 119550414) is 5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is CN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCNC1.Cl.
What is the InChIKey of 5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is URYTVSADHHTASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2.ClH/c1-18(12-9-10-17-11-12)16(19)14-7-8-15(22-14)23(20,21)13-5-3-2-4-6-13;/h2-8,12,17H,9-11H2,1H3;1H.
What are the key properties of 5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 386.93 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119550414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).