1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C24H25N3O4S — CID 42680456

IUPAC1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(C(=O)NCc3cccnc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C24H25N3O4S/c1-31-20-9-11-21(12-10-20)32(29,30)27-16-22(19-7-3-2-4-8-19)23(17-27)24(28)26-15-18-6-5-13-25-14-18/h2-14,22-23H,15-17H2,1H3,(H,26,28)
InChIKeyPVVWUNXCLCCWCH-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.81
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 42680456) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID42680456
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(C(=O)NCc3cccnc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C24H25N3O4S/c1-31-20-9-11-21(12-10-20)32(29,30)27-16-22(19-7-3-2-4-8-19)23(17-27)24(28)26-15-18-6-5-13-25-14-18/h2-14,22-23H,15-17H2,1H3,(H,26,28)
InChIKeyPVVWUNXCLCCWCH-UHFFFAOYSA-N
XLogP2.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42682063
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 1081627
1-(benzenesulfonyl)-N-benzyl-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681897
1-benzoyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42680157
1,4-bis(benzenesulfonyl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 2864325
1-(benzenesulfonyl)-4-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 42826803
(3R,4R)-N-butyl-4-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-3-carboxamide
CID 129428725
(3R,4R)-1-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93144938
(3S,4R)-1-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93144936
2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 26562397
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 42680456) is 1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CC(C(=O)NCc3cccnc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is PVVWUNXCLCCWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-31-20-9-11-21(12-10-20)32(29,30)27-16-22(19-7-3-2-4-8-19)23(17-27)24(28)26-15-18-6-5-13-25-14-18/h2-14,22-23H,15-17H2,1H3,(H,26,28).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).