N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide

C22H23FN2O5S — CID 140761387

IUPACN-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)C(F)(OCC1CN(C(=O)c2ccccc2)C1)C1CC1)c1ccccc1
InChIInChI=1S/C22H23FN2O5S/c23-22(19-11-12-19,31(28,29)24-20(26)17-7-3-1-4-8-17)30-15-16-13-25(14-16)21(27)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,24,26)
InChIKeyYYHUJVJANPLBSF-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.57
Rot. Bonds8

About N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide

N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide (PubChem CID 140761387) has the molecular formula C22H23FN2O5S and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide
PubChem CID140761387
Molecular FormulaC22H23FN2O5S
Molecular Weight446.50 g/mol
Exact Mass446.13
IUPAC NameN-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)C(F)(OCC1CN(C(=O)c2ccccc2)C1)C1CC1)c1ccccc1
InChIInChI=1S/C22H23FN2O5S/c23-22(19-11-12-19,31(28,29)24-20(26)17-7-3-1-4-8-17)30-15-16-13-25(14-16)21(27)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,24,26)
InChIKeyYYHUJVJANPLBSF-UHFFFAOYSA-N
XLogP2.57
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[chloro-(2-cyclopropylethoxy)-fluoromethyl]sulfonylbenzamide
CID 140663551
N-[chloro-(2-cyclohexylethoxy)-fluoromethyl]sulfonylbenzamide
CID 140683935
N-(trifluoromethylsulfonyl)benzamide
CID 12023043
(1-benzoylazetidin-3-yl)methanesulfonic acid
CID 150251295
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 142340211
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
N-cyclopropyl-3-[[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 50847037

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide?
The IUPAC name of N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide (CID 140761387) is N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide.
What is the SMILES notation for N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide?
The canonical SMILES for N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide is O=C(NS(=O)(=O)C(F)(OCC1CN(C(=O)c2ccccc2)C1)C1CC1)c1ccccc1.
What is the InChIKey of N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide?
The InChIKey is YYHUJVJANPLBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5S/c23-22(19-11-12-19,31(28,29)24-20(26)17-7-3-1-4-8-17)30-15-16-13-25(14-16)21(27)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,24,26).
What are the key properties of N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide?
N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide has a molecular weight of 446.50 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzoylazetidin-3-yl)methoxy-cyclopropyl-fluoromethyl]sulfonylbenzamide is sourced from PubChem (CID 140761387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).