2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide

C22H25F4N3O4S — CID 76072304

IUPAC2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methyl]acetamide
SMILESCCN(CC(=O)NCC1CN(CCO1)C2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)F
InChIInChI=1S/C22H25F4N3O4S/c1-2-29(34(31,32)20-9-5-17(23)6-10-20)15-21(30)27-13-19-14-28(11-12-33-19)18-7-3-16(4-8-18)22(24,25)26/h3-10,19H,2,11-15H2,1H3,(H,27,30)
InChIKeyQQQSONYYTGJIQO-UHFFFAOYSA-N
MW503.50 g/mol
LogP3.30
Rot. Bonds8

About 2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide

2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide (PubChem CID 76072304) has the molecular formula C22H25F4N3O4S and a molecular weight of 503.50 g/mol. Its IUPAC name is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide
PubChem CID76072304
Molecular FormulaC22H25F4N3O4S
Molecular Weight503.50 g/mol
Exact Mass503.15
IUPAC Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methyl]acetamide
SMILESCCN(CC(=O)NCC1CN(CCO1)C2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)F
InChIInChI=1S/C22H25F4N3O4S/c1-2-29(34(31,32)20-9-5-17(23)6-10-20)15-21(30)27-13-19-14-28(11-12-33-19)18-7-3-16(4-8-18)22(24,25)26/h3-10,19H,2,11-15H2,1H3,(H,27,30)
InChIKeyQQQSONYYTGJIQO-UHFFFAOYSA-N
XLogP3.30
TPSA87.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity761

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-morpholinoethyl)-3-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide
CID 24894562
1-(4-(Morpholinosulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24894571
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
2-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3244408
N-(2-morpholinoethyl)-4-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide
CID 24894561
Ethyl 4-{[(phenylsulfonyl)-3-(trifluoromethyl)anilino]acetyl}-1-piperazinecarboxylate
CID 986888
2-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1006109
2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1006632
2-[3,4-dimethyl(methylsulfonyl)anilino]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1142790
N-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-4-methyl-benzenesulfonamide
CID 1316232

Frequently Asked Questions

What is the IUPAC name of 2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide?
The IUPAC name of 2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide (CID 76072304) is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide?
The canonical SMILES for 2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide is CCN(CC(=O)NCC1CN(CCO1)C2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)F.
What is the InChIKey of 2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide?
The InChIKey is QQQSONYYTGJIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4N3O4S/c1-2-29(34(31,32)20-9-5-17(23)6-10-20)15-21(30)27-13-19-14-28(11-12-33-19)18-7-3-16(4-8-18)22(24,25)26/h3-10,19H,2,11-15H2,1H3,(H,27,30).
What are the key properties of 2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide?
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide has a molecular weight of 503.50 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-[4-(4-trifluoromethyl-phenyl)-morpholin-2-ylmethyl]-acetamide is sourced from PubChem (CID 76072304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).