N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C25H32FN3O4S — CID 55331672

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C25H32FN3O4S/c1-19-5-2-3-12-29(19)34(31,32)23-7-4-6-21(17-23)25(30)27-18-24(28-13-15-33-16-14-28)20-8-10-22(26)11-9-20/h4,6-11,17,19,24H,2-3,5,12-16,18H2,1H3,(H,27,30)
InChIKeyFMXGZBGENOKCCM-UHFFFAOYSA-N
MW489.61 g/mol
LogP3.19
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55331672) has the molecular formula C25H32FN3O4S and a molecular weight of 489.61 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55331672
Molecular FormulaC25H32FN3O4S
Molecular Weight489.61 g/mol
Exact Mass489.21
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C25H32FN3O4S/c1-19-5-2-3-12-29(19)34(31,32)23-7-4-6-21(17-23)25(30)27-18-24(28-13-15-33-16-14-28)20-8-10-22(26)11-9-20/h4,6-11,17,19,24H,2-3,5,12-16,18H2,1H3,(H,27,30)
InChIKeyFMXGZBGENOKCCM-UHFFFAOYSA-N
XLogP3.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 112765094
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
CID 55331695
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 98487422
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343552
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 30834711
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 18589031
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 42930977
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 39969594
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
3-[(4-fluorophenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27771815

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55331672) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is FMXGZBGENOKCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O4S/c1-19-5-2-3-12-29(19)34(31,32)23-7-4-6-21(17-23)25(30)27-18-24(28-13-15-33-16-14-28)20-8-10-22(26)11-9-20/h4,6-11,17,19,24H,2-3,5,12-16,18H2,1H3,(H,27,30).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 489.61 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55331672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).