N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C17H20N2O3S2 — CID 110341656

IUPACN-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O3S2/c1-18(13-14-7-3-2-4-8-14)17(20)15-9-5-11-19(15)24(21,22)16-10-6-12-23-16/h2-4,6-8,10,12,15H,5,9,11,13H2,1H3
InChIKeyLQZOQBOWGOLHHA-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.56
Rot. Bonds5

About N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 110341656) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID110341656
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O3S2/c1-18(13-14-7-3-2-4-8-14)17(20)15-9-5-11-19(15)24(21,22)16-10-6-12-23-16/h2-4,6-8,10,12,15H,5,9,11,13H2,1H3
InChIKeyLQZOQBOWGOLHHA-UHFFFAOYSA-N
XLogP2.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826543
1-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112790162
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 18162229
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26891230
(2S)-1-(benzenesulfonyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 30838799
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18113933
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide
CID 141072275
(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 8512379
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 110341656) is N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is CN(Cc1ccccc1)C(=O)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is LQZOQBOWGOLHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-18(13-14-7-3-2-4-8-14)17(20)15-9-5-11-19(15)24(21,22)16-10-6-12-23-16/h2-4,6-8,10,12,15H,5,9,11,13H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110341656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).