2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide

C18H18ClF3N2O4S — CID 1002135

IUPAC2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-28-14-7-5-13(6-8-14)23-17(25)11-24(29(2,26)27)16-10-12(18(20,21)22)4-9-15(16)19/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyWTHJDBSARASEMR-UHFFFAOYSA-N
MW450.87 g/mol
LogP4.16
Rot. Bonds7

About 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 1002135) has the molecular formula C18H18ClF3N2O4S and a molecular weight of 450.87 g/mol. Its IUPAC name is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
PubChem CID1002135
Molecular FormulaC18H18ClF3N2O4S
Molecular Weight450.87 g/mol
Exact Mass450.06
IUPAC Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-28-14-7-5-13(6-8-14)23-17(25)11-24(29(2,26)27)16-10-12(18(20,21)22)4-9-15(16)19/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyWTHJDBSARASEMR-UHFFFAOYSA-N
XLogP4.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
2-[N-(4-Chloro-2-methylphenyl)benzenesulfonamido]-N-(4-ethoxyphenyl)acetamide
CID 1260663
2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1100041
2-[(4-ethoxyphenyl)(methylsulfonyl)amino]-N-benzylacetamide
CID 1106295
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1106303
N-(3,4-Dimethyl-phenyl)-2-[(4-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 1106306
N-(3-Chloro-4-methyl-phenyl)-2-[(4-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 1107797
N-[(4-chlorophenyl)methyl]-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 2240890
N-[2-(4-Chloro-benzylsulfanyl)-ethyl]-2-[(4-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 2262330
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide
CID 4969352
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]acetamide
CID 24980498
N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 2092571

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide (CID 1002135) is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is WTHJDBSARASEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O4S/c1-3-28-14-7-5-13(6-8-14)23-17(25)11-24(29(2,26)27)16-10-12(18(20,21)22)4-9-15(16)19/h4-10H,3,11H2,1-2H3,(H,23,25).
What are the key properties of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide?
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 450.87 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 1002135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).