N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

C16H18N2O5S2 — CID 16822474

IUPACN-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(N2CC(NS(=O)(=O)c3cccs3)CC2=O)cc1OC
InChIInChI=1S/C16H18N2O5S2/c1-22-13-6-5-12(9-14(13)23-2)18-10-11(8-15(18)19)17-25(20,21)16-4-3-7-24-16/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyAGXGAWKEFMKDPW-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.85
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 16822474) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID16822474
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(N2CC(NS(=O)(=O)c3cccs3)CC2=O)cc1OC
InChIInChI=1S/C16H18N2O5S2/c1-22-13-6-5-12(9-14(13)23-2)18-10-11(8-15(18)19)17-25(20,21)16-4-3-7-24-16/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyAGXGAWKEFMKDPW-UHFFFAOYSA-N
XLogP1.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-1,3-benzodioxol-5-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 1535321
N-2,3-dihydro-1,4-benzodioxin-6-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3245817
N-(3,4-Dimethoxyphenyl)-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4094700
N-(3,4-dimethoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 15989583
Propynoic acid (cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(3,4-dimethoxy-phenyl)-amide
CID 3216692
N~2~-(3,4-dimethoxyphenyl)-N-[2-(phenylsulfanyl)ethyl]-N~2~-(phenylsulfonyl)glycinamide
CID 2213888
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2440523
N-[2-(cyclohexylsulfanyl)ethyl]-N~2~-(3,4-dimethoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2928661
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 3235901
N-1,3-benzodioxol-5-yl-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3238168
N~1~-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3242229
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-thienylsulfonyl)amino]acetamide
CID 3245300

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 16822474) is N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is COc1ccc(N2CC(NS(=O)(=O)c3cccs3)CC2=O)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is AGXGAWKEFMKDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-22-13-6-5-12(9-14(13)23-2)18-10-11(8-15(18)19)17-25(20,21)16-4-3-7-24-16/h3-7,9,11,17H,8,10H2,1-2H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 382.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 16822474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).