N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide

C24H22ClF3N2O4S — CID 4572236

IUPACN-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H22ClF3N2O4S/c1-15-10-11-21(34-3)22(12-15)35(32,33)30(18-7-4-6-17(13-18)24(26,27)28)14-23(31)29-20-9-5-8-19(25)16(20)2/h4-13H,14H2,1-3H3,(H,29,31)
InChIKeyUCVOPSUWJJZZTO-UHFFFAOYSA-N
MW526.96 g/mol
LogP5.82
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide

N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 4572236) has the molecular formula C24H22ClF3N2O4S and a molecular weight of 526.96 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID4572236
Molecular FormulaC24H22ClF3N2O4S
Molecular Weight526.96 g/mol
Exact Mass526.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H22ClF3N2O4S/c1-15-10-11-21(34-3)22(12-15)35(32,33)30(18-7-4-6-17(13-18)24(26,27)28)14-23(31)29-20-9-5-8-19(25)16(20)2/h4-13H,14H2,1-3H3,(H,29,31)
InChIKeyUCVOPSUWJJZZTO-UHFFFAOYSA-N
XLogP5.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.96
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 5006626
2-(3,4-dichloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3668797
N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 3957853
N-(2-methoxy-5-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1019072
N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394431
N-(2,3-dimethylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 5135255
2-(3,4-dichloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 4989324
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1248291
N-(2-fluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126395488
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43899593
N-(2,5-difluorophenyl)-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548146
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 28548144

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 4572236) is N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is UCVOPSUWJJZZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2O4S/c1-15-10-11-21(34-3)22(12-15)35(32,33)30(18-7-4-6-17(13-18)24(26,27)28)14-23(31)29-20-9-5-8-19(25)16(20)2/h4-13H,14H2,1-3H3,(H,29,31).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 526.96 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 4572236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).