2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide

C26H22F3N3O5S2 — CID 43881585

IUPAC2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H22F3N3O5S2/c1-38(34,35)32(24-11-4-7-18-6-2-3-10-23(18)24)17-25(33)30-20-12-14-22(15-13-20)39(36,37)31-21-9-5-8-19(16-21)26(27,28)29/h2-16,31H,17H2,1H3,(H,30,33)
InChIKeyMZDIIJRLBOKUGJ-UHFFFAOYSA-N
MW577.61 g/mol
LogP5.06
Rot. Bonds8

About 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide

2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 43881585) has the molecular formula C26H22F3N3O5S2 and a molecular weight of 577.61 g/mol. Its IUPAC name is 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID43881585
Molecular FormulaC26H22F3N3O5S2
Molecular Weight577.61 g/mol
Exact Mass577.10
IUPAC Name2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H22F3N3O5S2/c1-38(34,35)32(24-11-4-7-18-6-2-3-10-23(18)24)17-25(33)30-20-12-14-22(15-13-20)39(36,37)31-21-9-5-8-19(16-21)26(27,28)29/h2-16,31H,17H2,1H3,(H,30,33)
InChIKeyMZDIIJRLBOKUGJ-UHFFFAOYSA-N
XLogP5.06
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.61
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879912
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43880198
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1338012
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880933
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43880179
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879909
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]butanamide
CID 19062114
3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 1304359
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880830
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 126181237
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43881662

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide (CID 43881585) is 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc2ccccc12.
What is the InChIKey of 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is MZDIIJRLBOKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O5S2/c1-38(34,35)32(24-11-4-7-18-6-2-3-10-23(18)24)17-25(33)30-20-12-14-22(15-13-20)39(36,37)31-21-9-5-8-19(16-21)26(27,28)29/h2-16,31H,17H2,1H3,(H,30,33).
What are the key properties of 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 577.61 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).