N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C24H28F2N2O4S — CID 60610870

IUPACN-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCC2(c3c(F)cccc3F)CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H28F2N2O4S/c1-17-7-8-18(15-21(17)33(30,31)28-11-13-32-14-12-28)23(29)27-16-24(9-2-3-10-24)22-19(25)5-4-6-20(22)26/h4-8,15H,2-3,9-14,16H2,1H3,(H,27,29)
InChIKeyPENNGPWKDHMGKA-UHFFFAOYSA-N
MW478.56 g/mol
LogP3.54
Rot. Bonds6

About N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 60610870) has the molecular formula C24H28F2N2O4S and a molecular weight of 478.56 g/mol. Its IUPAC name is N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID60610870
Molecular FormulaC24H28F2N2O4S
Molecular Weight478.56 g/mol
Exact Mass478.17
IUPAC NameN-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCC2(c3c(F)cccc3F)CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H28F2N2O4S/c1-17-7-8-18(15-21(17)33(30,31)28-11-13-32-14-12-28)23(29)27-16-24(9-2-3-10-24)22-19(25)5-4-6-20(22)26/h4-8,15H,2-3,9-14,16H2,1H3,(H,27,29)
InChIKeyPENNGPWKDHMGKA-UHFFFAOYSA-N
XLogP3.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26202942
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823
N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60583878
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 27173584
4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9472673
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2711558
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-[3-(methoxymethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 32638427
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119571738

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 60610870) is N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)NCC2(c3c(F)cccc3F)CCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PENNGPWKDHMGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O4S/c1-17-7-8-18(15-21(17)33(30,31)28-11-13-32-14-12-28)23(29)27-16-24(9-2-3-10-24)22-19(25)5-4-6-20(22)26/h4-8,15H,2-3,9-14,16H2,1H3,(H,27,29).
What are the key properties of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 478.56 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 60610870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).