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

C20H21ClF3N3O6S2 — CID 43882172

IUPAC2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C20H21ClF3N3O6S2/c1-34(29,30)27(18-12-14(20(22,23)24)2-7-17(18)21)13-19(28)25-15-3-5-16(6-4-15)35(31,32)26-8-10-33-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,25,28)
InChIKeyMHWBMUGNWYUSCP-UHFFFAOYSA-N
MW555.98 g/mol
LogP2.78
Rot. Bonds7

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

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 43882172) has the molecular formula C20H21ClF3N3O6S2 and a molecular weight of 555.98 g/mol. Its IUPAC name is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID43882172
Molecular FormulaC20H21ClF3N3O6S2
Molecular Weight555.98 g/mol
Exact Mass555.05
IUPAC Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C20H21ClF3N3O6S2/c1-34(29,30)27(18-12-14(20(22,23)24)2-7-17(18)21)13-19(28)25-15-3-5-16(6-4-15)35(31,32)26-8-10-33-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,25,28)
InChIKeyMHWBMUGNWYUSCP-UHFFFAOYSA-N
XLogP2.78
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.98
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896296
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880933
N-(4-chlorophenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30259197
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide
CID 22193721
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 3694123
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126254845
2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17312955
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51342942
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126268305
N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 1320398
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1251736
N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900101

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 43882172) is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is MHWBMUGNWYUSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O6S2/c1-34(29,30)27(18-12-14(20(22,23)24)2-7-17(18)21)13-19(28)25-15-3-5-16(6-4-15)35(31,32)26-8-10-33-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,25,28).
What are the key properties of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 555.98 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 43882172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).