1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C24H25N3O4S — CID 46476011

IUPAC1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(OCc2cccnc2)cc1)C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O4S/c28-24(23-9-5-15-27(23)32(29,30)22-7-2-1-3-8-22)26-17-19-10-12-21(13-11-19)31-18-20-6-4-14-25-16-20/h1-4,6-8,10-14,16,23H,5,9,15,17-18H2,(H,26,28)
InChIKeyWLLGTEIPAOJSHF-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.13
Rot. Bonds8

About 1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 46476011) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID46476011
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(OCc2cccnc2)cc1)C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O4S/c28-24(23-9-5-15-27(23)32(29,30)22-7-2-1-3-8-22)26-17-19-10-12-21(13-11-19)31-18-20-6-4-14-25-16-20/h1-4,6-8,10-14,16,23H,5,9,15,17-18H2,(H,26,28)
InChIKeyWLLGTEIPAOJSHF-UHFFFAOYSA-N
XLogP3.13
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40696797
(2S)-1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40634690
(2S)-1-pyridin-3-ylsulfonyl-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118413630
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
(2R)-1-[(4-fluorophenyl)methyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 95786833
(2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 30260766
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876209
1,4-bis(benzenesulfonyl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 2864325
1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 42961707
1-(benzenesulfonyl)-N-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 70941063
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966570

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 46476011) is 1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(OCc2cccnc2)cc1)C1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WLLGTEIPAOJSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-24(23-9-5-15-27(23)32(29,30)22-7-2-1-3-8-22)26-17-19-10-12-21(13-11-19)31-18-20-6-4-14-25-16-20/h1-4,6-8,10-14,16,23H,5,9,15,17-18H2,(H,26,28).
What are the key properties of 1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46476011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).