4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide

C25H33FN2O5S — CID 91809371

IUPAC4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)N1CCOCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C25H33FN2O5S/c26-22-11-23(33-15-25-12-16-7-17(13-25)9-18(8-16)14-25)20(19-1-2-19)10-21(22)24(29)27-34(30,31)28-3-5-32-6-4-28/h10-11,16-19H,1-9,12-15H2,(H,27,29)
InChIKeyDEYOMPPOEBPYPT-UHFFFAOYSA-N
MW492.61 g/mol
LogP3.61
Rot. Bonds7

About 4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide

4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide (PubChem CID 91809371) has the molecular formula C25H33FN2O5S and a molecular weight of 492.61 g/mol. Its IUPAC name is 4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide
PubChem CID91809371
Molecular FormulaC25H33FN2O5S
Molecular Weight492.61 g/mol
Exact Mass492.21
IUPAC Name4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)N1CCOCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C25H33FN2O5S/c26-22-11-23(33-15-25-12-16-7-17(13-25)9-18(8-16)14-25)20(19-1-2-19)10-21(22)24(29)27-34(30,31)28-3-5-32-6-4-28/h10-11,16-19H,1-9,12-15H2,(H,27,29)
InChIKeyDEYOMPPOEBPYPT-UHFFFAOYSA-N
XLogP3.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gdc-0276
CID 91809347
4-(adamantan-1-ylmethoxy)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)-benzamide
CID 72193615
4-(1-adamantylmethoxy)-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide
CID 72546154
5-cyclopropyl-4-((4,4-difluoroadamantan-1-yl)methoxy)-2-fluoro-N-(methylsulfonyl)benzamide
CID 86702862
4-((1-benzhydrylpiperidin-4-yl)methoxy)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide
CID 72549135
4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide
CID 90016242
4-(1-adamantylmethoxy)-5-ethyl-2-fluoro-N-methylsulfonylbenzamide
CID 90016420
4-(1-adamantylmethoxy)-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 90016504
N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-2-adamantyl)oxy]-5-cyclopropyl-2-fluorobenzamide
CID 91809389
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzamide
CID 118110893
4-((1-benzylpiperidin-4-yl)methoxy)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide
CID 118120219
N-(azetidin-1-ylsulfonyl)-4-(cyclohexylmethoxy)-5-cyclopropyl-2-fluorobenzamide
CID 86703492

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide (CID 91809371) is 4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide is O=C(NS(=O)(=O)N1CCOCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.
What is the InChIKey of 4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DEYOMPPOEBPYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O5S/c26-22-11-23(33-15-25-12-16-7-17(13-25)9-18(8-16)14-25)20(19-1-2-19)10-21(22)24(29)27-34(30,31)28-3-5-32-6-4-28/h10-11,16-19H,1-9,12-15H2,(H,27,29).
What are the key properties of 4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide?
4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide has a molecular weight of 492.61 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 91809371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).