N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide

C19H23N3O5S2 — CID 16829926

IUPACN-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCc2cccs2)cc1
InChIInChI=1S/C19H23N3O5S2/c1-27-15-6-8-17(9-7-15)29(25,26)22-10-2-4-14(22)12-20-18(23)19(24)21-13-16-5-3-11-28-16/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyOUZGWSVPPYWORG-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.34
Rot. Bonds7

About N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 16829926) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID16829926
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC NameN-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCc2cccs2)cc1
InChIInChI=1S/C19H23N3O5S2/c1-27-15-6-8-17(9-7-15)29(25,26)22-10-2-4-14(22)12-20-18(23)19(24)21-13-16-5-3-11-28-16/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyOUZGWSVPPYWORG-UHFFFAOYSA-N
XLogP1.34
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-2-(2-thienyl)pyrrolidine
CID 2805673
(2R)-N-hydroxy-2-[(4-methoxybenzene)[2-(thiophen-3-yl)ethyl]sulfonamido]-3-methylbutanamide
CID 6539656
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2999542
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4784924
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9036557
N-hydroxy-1-(4-methoxyphenylsulfonyl)-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 10622296
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032194
N'-[(2-methoxyphenyl)methyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032215
N1-cyclopentyl-N2-((1-((4-methoxyphenyl)sulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829904
N1-(4-methoxyphenyl)-N2-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829961
N'-[2-(2-methoxyphenyl)ethyl]-N-{[1-(thiophene-2-sulfonyl)pyrrolidin-2-yl]methyl}ethanediamide
CID 16829968
(R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(3-phenoxy-thiophen-2-ylmethyl)-amino]-propionamide
CID 44274147

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 16829926) is N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide is COc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NCc2cccs2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is OUZGWSVPPYWORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-27-15-6-8-17(9-7-15)29(25,26)22-10-2-4-14(22)12-20-18(23)19(24)21-13-16-5-3-11-28-16/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 437.54 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 16829926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).