N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide

C20H24N4O4S — CID 30126689

IUPACN'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C20H24N4O4S/c25-19(20(26)23-15-17-4-3-10-21-14-17)22-11-9-16-5-7-18(8-6-16)29(27,28)24-12-1-2-13-24/h3-8,10,14H,1-2,9,11-13,15H2,(H,22,25)(H,23,26)
InChIKeyQOTANHMNJFELIE-UHFFFAOYSA-N
MW416.50 g/mol
LogP0.84
Rot. Bonds7

About N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide

N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide (PubChem CID 30126689) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide
PubChem CID30126689
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C20H24N4O4S/c25-19(20(26)23-15-17-4-3-10-21-14-17)22-11-9-16-5-7-18(8-6-16)29(27,28)24-12-1-2-13-24/h3-8,10,14H,1-2,9,11-13,15H2,(H,22,25)(H,23,26)
InChIKeyQOTANHMNJFELIE-UHFFFAOYSA-N
XLogP0.84
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 50.84
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

1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(2-pyridin-3-ylethyl)urea
CID 55590542
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
(3S)-5-oxo-N-(pyridin-3-ylmethyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720889
5-(4-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837184
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]oxamide
CID 17248888
N'-butan-2-yl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 43888275
N-(3-methoxypropyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126490
1-(pyridin-3-ylmethyl)-3-(4-thiomorpholin-4-ylsulfonylphenyl)urea
CID 66610991
N'-(2-bromophenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30127041

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide?
The IUPAC name of N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide (CID 30126689) is N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide is O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide?
The InChIKey is QOTANHMNJFELIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c25-19(20(26)23-15-17-4-3-10-21-14-17)22-11-9-16-5-7-18(8-6-16)29(27,28)24-12-1-2-13-24/h3-8,10,14H,1-2,9,11-13,15H2,(H,22,25)(H,23,26).
What are the key properties of N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide?
N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide has a molecular weight of 416.50 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide is sourced from PubChem (CID 30126689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).