3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

C19H18F3N3O5S — CID 43009760

IUPAC3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H18F3N3O5S/c20-14-4-5-15(18(22)17(14)21)24-16(26)11-23-19(27)12-2-1-3-13(10-12)31(28,29)25-6-8-30-9-7-25/h1-5,10H,6-9,11H2,(H,23,27)(H,24,26)
InChIKeyCWWNKDVKRMATMW-UHFFFAOYSA-N
MW457.43 g/mol
LogP1.49
Rot. Bonds6

About 3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (PubChem CID 43009760) has the molecular formula C19H18F3N3O5S and a molecular weight of 457.43 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
PubChem CID43009760
Molecular FormulaC19H18F3N3O5S
Molecular Weight457.43 g/mol
Exact Mass457.09
IUPAC Name3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H18F3N3O5S/c20-14-4-5-15(18(22)17(14)21)24-16(26)11-23-19(27)12-2-1-3-13(10-12)31(28,29)25-6-8-30-9-7-25/h1-5,10H,6-9,11H2,(H,23,27)(H,24,26)
InChIKeyCWWNKDVKRMATMW-UHFFFAOYSA-N
XLogP1.49
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 4845634
3-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812742
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-(2-methylpiperidin-1-yl)sulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 146122746
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 9083286
2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 2078880
N-(4-fluoro-3-methylphenyl)-3-(1,4-oxazepan-4-ylsulfonyl)benzamide
CID 123184223
1-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 24583542

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (CID 43009760) is 3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is O=C(CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The InChIKey is CWWNKDVKRMATMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O5S/c20-14-4-5-15(18(22)17(14)21)24-16(26)11-23-19(27)12-2-1-3-13(10-12)31(28,29)25-6-8-30-9-7-25/h1-5,10H,6-9,11H2,(H,23,27)(H,24,26).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide has a molecular weight of 457.43 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is sourced from PubChem (CID 43009760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).