4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide

C18H27FN2O5S — CID 55589792

IUPAC4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOCCN(CC(C)C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H27FN2O5S/c1-14(2)13-20(6-9-25-3)18(22)15-4-5-16(19)17(12-15)27(23,24)21-7-10-26-11-8-21/h4-5,12,14H,6-11,13H2,1-3H3
InChIKeyJNJNPNHDOPSYAA-UHFFFAOYSA-N
MW402.49 g/mol
LogP1.59
Rot. Bonds8

About 4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide

4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55589792) has the molecular formula C18H27FN2O5S and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55589792
Molecular FormulaC18H27FN2O5S
Molecular Weight402.49 g/mol
Exact Mass402.16
IUPAC Name4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOCCN(CC(C)C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H27FN2O5S/c1-14(2)13-20(6-9-25-3)18(22)15-4-5-16(19)17(12-15)27(23,24)21-7-10-26-11-8-21/h4-5,12,14H,6-11,13H2,1-3H3
InChIKeyJNJNPNHDOPSYAA-UHFFFAOYSA-N
XLogP1.59
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide
CID 55664196
N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 18190315
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 9303699
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 9094422
methyl 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-4-methylcyclohexane-1-carboxylate
CID 55808885
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24686904
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 42900621

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide (CID 55589792) is 4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide is COCCN(CC(C)C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JNJNPNHDOPSYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O5S/c1-14(2)13-20(6-9-25-3)18(22)15-4-5-16(19)17(12-15)27(23,24)21-7-10-26-11-8-21/h4-5,12,14H,6-11,13H2,1-3H3.
What are the key properties of 4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide?
4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55589792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).