2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C25H31N3O5S — CID 28591252

IUPAC2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C25H31N3O5S/c1-18-11-15-28(16-12-18)34(31,32)19-9-10-23(33-2)21(17-19)24(29)26-22-8-4-3-7-20(22)25(30)27-13-5-6-14-27/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,26,29)
InChIKeyBJFUWKRTTCHCBT-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.60
Rot. Bonds6

About 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 28591252) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID28591252
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C25H31N3O5S/c1-18-11-15-28(16-12-18)34(31,32)19-9-10-23(33-2)21(17-19)24(29)26-22-8-4-3-7-20(22)25(30)27-13-5-6-14-27/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,26,29)
InChIKeyBJFUWKRTTCHCBT-UHFFFAOYSA-N
XLogP3.60
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 28591285
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 28591225
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 15996952
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
5-(azepan-1-ylsulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]-2-methoxybenzamide
CID 43882697
(4-benzylpiperazin-1-yl)-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 28591235
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51525680
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28590695
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882728
1-(4-methylphenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 26905327

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 28591252) is 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is BJFUWKRTTCHCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-18-11-15-28(16-12-18)34(31,32)19-9-10-23(33-2)21(17-19)24(29)26-22-8-4-3-7-20(22)25(30)27-13-5-6-14-27/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,26,29).
What are the key properties of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 485.61 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 28591252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).