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

C19H27N3O5S — CID 16829904

IUPACN'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H27N3O5S/c1-27-16-8-10-17(11-9-16)28(25,26)22-12-4-7-15(22)13-20-18(23)19(24)21-14-5-2-3-6-14/h8-11,14-15H,2-7,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyWRXPZWUXUYGEJM-UHFFFAOYSA-N
MW409.51 g/mol
LogP1.02
Rot. Bonds6

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

N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide (PubChem CID 16829904) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
PubChem CID16829904
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC NameN'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H27N3O5S/c1-27-16-8-10-17(11-9-16)28(25,26)22-12-4-7-15(22)13-20-18(23)19(24)21-14-5-2-3-6-14/h8-11,14-15H,2-7,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyWRXPZWUXUYGEJM-UHFFFAOYSA-N
XLogP1.02
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
CID 5287415
N-hydroxy-2-[(4-methoxybenzene)(3-methylbutyl)sulfonamido]acetamide
CID 10640178
N-[6-oxo-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidin-1-yl]hexyl]acetamide
CID 46175162
4-(Methanesulfonyl-propyl-amino)-1-(4-methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 11797154
N-Hydroxy 1N(4-methoxyphenyl)sulfonyl-4-(Z,E-N-methoxyimino)pyrrolidine-2R-carboxamide
CID 445010
2-[butan-2-yl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10686890
2-[tert-butyl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10734191
2-[cyclohexyl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10807240
N-hydroxy-2-[(4-methoxybenzene)[2-(piperidin-1-yl)ethyl]sulfonamido]acetamide
CID 10833044
(R)-1-(4-Butoxy-benzenesulfonyl)-4-methylene-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10522080
(2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide
CID 10524134

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide (CID 16829904) is N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide is COc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
The InChIKey is WRXPZWUXUYGEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-27-16-8-10-17(11-9-16)28(25,26)22-12-4-7-15(22)13-20-18(23)19(24)21-14-5-2-3-6-14/h8-11,14-15H,2-7,12-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide?
N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide has a molecular weight of 409.51 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 16829904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).