2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide

C20H23FN2O5S — CID 2455724

IUPAC2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C20H23FN2O5S/c1-22(9-14-28-16-5-3-2-4-6-16)20(24)18-15-17(7-8-19(18)21)29(25,26)23-10-12-27-13-11-23/h2-8,15H,9-14H2,1H3
InChIKeyYPPHGORQWRHXFP-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.00
Rot. Bonds7

About 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide

2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide (PubChem CID 2455724) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
PubChem CID2455724
Molecular FormulaC20H23FN2O5S
Molecular Weight422.48 g/mol
Exact Mass422.13
IUPAC Name2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C20H23FN2O5S/c1-22(9-14-28-16-5-3-2-4-6-16)20(24)18-15-17(7-8-19(18)21)29(25,26)23-10-12-27-13-11-23/h2-8,15H,9-14H2,1H3
InChIKeyYPPHGORQWRHXFP-UHFFFAOYSA-N
XLogP2.00
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55970027
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2458310
N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 26893076
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 16572548
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine
CID 9113165
N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine
CID 18093981
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960788
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylcyclohexyl)benzamide
CID 55588260
3-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide (CID 2455724) is 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is YPPHGORQWRHXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c1-22(9-14-28-16-5-3-2-4-6-16)20(24)18-15-17(7-8-19(18)21)29(25,26)23-10-12-27-13-11-23/h2-8,15H,9-14H2,1H3.
What are the key properties of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 422.48 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 2455724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).