5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide

C23H25F3N2O4S — CID 126726953

IUPAC5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCO[C@H](Cc3ccc(F)cc3F)C2)cc1F
InChIInChI=1S/C23H25F3N2O4S/c1-33(30,31)27-23(29)20-11-19(14-2-3-14)16(9-22(20)26)12-28-6-7-32-18(13-28)8-15-4-5-17(24)10-21(15)25/h4-5,9-11,14,18H,2-3,6-8,12-13H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyIECOPYPFEOCWLM-GOSISDBHSA-N
MW482.52 g/mol
LogP3.11
Rot. Bonds7

About 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide

5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 126726953) has the molecular formula C23H25F3N2O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID126726953
Molecular FormulaC23H25F3N2O4S
Molecular Weight482.52 g/mol
Exact Mass482.15
IUPAC Name5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCO[C@H](Cc3ccc(F)cc3F)C2)cc1F
InChIInChI=1S/C23H25F3N2O4S/c1-33(30,31)27-23(29)20-11-19(14-2-3-14)16(9-22(20)26)12-28-6-7-32-18(13-28)8-15-4-5-17(24)10-21(15)25/h4-5,9-11,14,18H,2-3,6-8,12-13H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyIECOPYPFEOCWLM-GOSISDBHSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide with MolForge

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Related Compounds

4-[[(2R)-2-[(2-chloro-4-fluorophenyl)methyl]morpholin-4-yl]methyl]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118110539
5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide
CID 118110545
5-cyclopropyl-4-[[(2R)-2-[(3,5-dichlorophenyl)methyl]-5,5-dimethylmorpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
CID 118110617
N-(azetidin-1-ylsulfonyl)-4-[[(2R)-2-[(2-chloro-4-fluorophenyl)methyl]morpholin-4-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
CID 118110641
(R)-5-cyclopropyl-4-((2-(3,4-dichlorobenzyl)morpholino)methyl)-2-fluoro-N-(methylsulfonyl)benzamide
CID 118110923
5-cyclopropyl-4-[[(2S)-2-[(3,4-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
CID 118111004
5-cyclopropyl-4-[[(2R)-2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
CID 118111106
4-[[(2R)-2-[(2-chloro-4-fluorophenyl)methyl]morpholin-4-yl]methyl]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide
CID 118111163
4-[[4-[(2-chloro-4-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118120308
(R)-5-cyclopropyl-N-(cyclopropylsulfonyl)-4-((2-(3,5-dichlorobenzyl)morpholino)methyl)-2-fluorobenzamide
CID 118120582
Synthesis of 5-cyclopropyl-2-fluoro-4-((4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl)methyl)-N-(methylsulfonyl)benzamide, trifluoroacetic acid salt
CID 118120801
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide
CID 118353669

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide (CID 126726953) is 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCO[C@H](Cc3ccc(F)cc3F)C2)cc1F.
What is the InChIKey of 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is IECOPYPFEOCWLM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25F3N2O4S/c1-33(30,31)27-23(29)20-11-19(14-2-3-14)16(9-22(20)26)12-28-6-7-32-18(13-28)8-15-4-5-17(24)10-21(15)25/h4-5,9-11,14,18H,2-3,6-8,12-13H2,1H3,(H,27,29)/t18-/m1/s1.
What are the key properties of 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide?
5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 482.52 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[[(2R)-2-[(2,4-difluorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 126726953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).