N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

C23H20ClF3N2O5S — CID 43895765

IUPACN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C23H20ClF3N2O5S/c1-33-20-8-3-4-9-21(20)34-19-11-10-16(24)13-18(19)28-22(30)14-29(35(2,31)32)17-7-5-6-15(12-17)23(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeySQXPTTQQRKVKRC-UHFFFAOYSA-N
MW528.94 g/mol
LogP5.56
Rot. Bonds8

About N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 43895765) has the molecular formula C23H20ClF3N2O5S and a molecular weight of 528.94 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID43895765
Molecular FormulaC23H20ClF3N2O5S
Molecular Weight528.94 g/mol
Exact Mass528.07
IUPAC NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C23H20ClF3N2O5S/c1-33-20-8-3-4-9-21(20)34-19-11-10-16(24)13-18(19)28-22(30)14-29(35(2,31)32)17-7-5-6-15(12-17)23(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeySQXPTTQQRKVKRC-UHFFFAOYSA-N
XLogP5.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.94
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221166
N-(2-methoxy-5-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1019072
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219478
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894011
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30264909
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1336235
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-1-ylacetamide
CID 30168878
N-(5-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978401
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoic acid
CID 1265964
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893859
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894679

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 43895765) is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is SQXPTTQQRKVKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O5S/c1-33-20-8-3-4-9-21(20)34-19-11-10-16(24)13-18(19)28-22(30)14-29(35(2,31)32)17-7-5-6-15(12-17)23(25,26)27/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 528.94 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 43895765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).