5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide

C23H22N4O4S — CID 68848168

IUPAC5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC3)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H22N4O4S/c1-16-8-9-18(14-21(16)23(29)26-19-6-3-10-24-15-19)25-22(28)17-5-2-7-20(13-17)32(30,31)27-11-4-12-27/h2-3,5-10,13-15H,4,11-12H2,1H3,(H,25,28)(H,26,29)
InChIKeyDUOSPFDPOPRMIT-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.29
Rot. Bonds6

About 5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide

5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 68848168) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID68848168
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC3)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H22N4O4S/c1-16-8-9-18(14-21(16)23(29)26-19-6-3-10-24-15-19)25-22(28)17-5-2-7-20(13-17)32(30,31)27-11-4-12-27/h2-3,5-10,13-15H,4,11-12H2,1H3,(H,25,28)(H,26,29)
InChIKeyDUOSPFDPOPRMIT-UHFFFAOYSA-N
XLogP3.29
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518
[3-[[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174551507
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835241
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835371
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide (CID 68848168) is 5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC3)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is DUOSPFDPOPRMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-16-8-9-18(14-21(16)23(29)26-19-6-3-10-24-15-19)25-22(28)17-5-2-7-20(13-17)32(30,31)27-11-4-12-27/h2-3,5-10,13-15H,4,11-12H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 450.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 68848168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).