N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide

C18H25N3O4S — CID 77089358

IUPACN,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC(N3CCCC3=O)C2)c1
InChIInChI=1S/C18H25N3O4S/c1-19(2)18(23)14-6-3-8-16(12-14)26(24,25)20-10-4-7-15(13-20)21-11-5-9-17(21)22/h3,6,8,12,15H,4-5,7,9-11,13H2,1-2H3
InChIKeyXUMKXVIYCUIGMW-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.16
Rot. Bonds4

About N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide

N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 77089358) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide
PubChem CID77089358
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC(N3CCCC3=O)C2)c1
InChIInChI=1S/C18H25N3O4S/c1-19(2)18(23)14-6-3-8-16(12-14)26(24,25)20-10-4-7-15(13-20)21-11-5-9-17(21)22/h3,6,8,12,15H,4-5,7,9-11,13H2,1-2H3
InChIKeyXUMKXVIYCUIGMW-UHFFFAOYSA-N
XLogP1.16
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-N,N-dimethylbenzamide;hydrochloride
CID 119989345
3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120665509
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
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3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
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3-[(3R,4R)-3-(dimethylamino)-4-methylsulfanylpyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzamide
CID 124859619
3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylbenzoic acid
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N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 9226975
3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide
CID 120715451
3-(azepan-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 4793590
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7260123

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide (CID 77089358) is N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide is CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC(N3CCCC3=O)C2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is XUMKXVIYCUIGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-19(2)18(23)14-6-3-8-16(12-14)26(24,25)20-10-4-7-15(13-20)21-11-5-9-17(21)22/h3,6,8,12,15H,4-5,7,9-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide?
N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 379.48 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 77089358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).