N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C21H23N3O4S — CID 9442082

IUPACN-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H23N3O4S/c25-20-8-5-15-24(20)19-7-2-1-6-18(19)22-21(26)16-9-11-17(12-10-16)29(27,28)23-13-3-4-14-23/h1-2,6-7,9-12H,3-5,8,13-15H2,(H,22,26)
InChIKeyVJJIKFXQFGQOMO-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9442082) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9442082
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H23N3O4S/c25-20-8-5-15-24(20)19-7-2-1-6-18(19)22-21(26)16-9-11-17(12-10-16)29(27,28)23-13-3-4-14-23/h1-2,6-7,9-12H,3-5,8,13-15H2,(H,22,26)
InChIKeyVJJIKFXQFGQOMO-UHFFFAOYSA-N
XLogP2.85
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 43013801
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 41242824
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557757
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18204927
2-methyl-5-methylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18166587

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 9442082) is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VJJIKFXQFGQOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c25-20-8-5-15-24(20)19-7-2-1-6-18(19)22-21(26)16-9-11-17(12-10-16)29(27,28)23-13-3-4-14-23/h1-2,6-7,9-12H,3-5,8,13-15H2,(H,22,26).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 413.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9442082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).