N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide

C18H20N2O3S2 — CID 43004682

IUPACN-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC2c2cccs2)c1
InChIInChI=1S/C18H20N2O3S2/c1-2-10-19-25(22,23)15-7-3-6-14(13-15)18(21)20-11-4-8-16(20)17-9-5-12-24-17/h2-3,5-7,9,12-13,16,19H,1,4,8,10-11H2
InChIKeyNVRSFRDPFKURCF-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.19
Rot. Bonds6

About N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide

N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 43004682) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID43004682
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC2c2cccs2)c1
InChIInChI=1S/C18H20N2O3S2/c1-2-10-19-25(22,23)15-7-3-6-14(13-15)18(21)20-11-4-8-16(20)17-9-5-12-24-17/h2-3,5-7,9,12-13,16,19H,1,4,8,10-11H2
InChIKeyNVRSFRDPFKURCF-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 8916314
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119434498
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326
4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55349589
3-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 109062386
N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55722221
1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813122
N-tert-butyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51165544
1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9440775

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 43004682) is N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide is C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC2c2cccs2)c1.
What is the InChIKey of N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is NVRSFRDPFKURCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-2-10-19-25(22,23)15-7-3-6-14(13-15)18(21)20-11-4-8-16(20)17-9-5-12-24-17/h2-3,5-7,9,12-13,16,19H,1,4,8,10-11H2.
What are the key properties of N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 43004682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).