N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

C17H20N2O3S2 — CID 50777828

IUPACN-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC2)cs1
InChIInChI=1S/C17H20N2O3S2/c1-18(12-14-7-3-2-4-8-14)24(21,22)16-11-15(13-23-16)17(20)19-9-5-6-10-19/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
InChIKeyZWIORRRDNMTZFT-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.80
Rot. Bonds5

About N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 50777828) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID50777828
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC2)cs1
InChIInChI=1S/C17H20N2O3S2/c1-18(12-14-7-3-2-4-8-14)24(21,22)16-11-15(13-23-16)17(20)19-9-5-6-10-19/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
InChIKeyZWIORRRDNMTZFT-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide
CID 50777606
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
5-[(3-hydroxyphenyl)methyl-methylsulfamoyl]thiophene-3-carboxylic acid
CID 60951080
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
CID 16662252
5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
CID 60681316
5-[1,3-benzodioxol-5-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 45299087
N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278707
N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777620
4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 39191268

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (CID 50777828) is N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC2)cs1.
What is the InChIKey of N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is ZWIORRRDNMTZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-18(12-14-7-3-2-4-8-14)24(21,22)16-11-15(13-23-16)17(20)19-9-5-6-10-19/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 2.80, 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-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50777828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).