2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide

C16H21ClF3N3O4S — CID 6492950

IUPAC2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H21ClF3N3O4S/c1-28(25,26)23(12-2-3-14(17)13(10-12)16(18,19)20)11-15(24)21-4-5-22-6-8-27-9-7-22/h2-3,10H,4-9,11H2,1H3,(H,21,24)
InChIKeyAPXXAKXSABZEEB-UHFFFAOYSA-N
MW443.88 g/mol
LogP1.57
Rot. Bonds7

About 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide

2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 6492950) has the molecular formula C16H21ClF3N3O4S and a molecular weight of 443.88 g/mol. Its IUPAC name is 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID6492950
Molecular FormulaC16H21ClF3N3O4S
Molecular Weight443.88 g/mol
Exact Mass443.09
IUPAC Name2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H21ClF3N3O4S/c1-28(25,26)23(12-2-3-14(17)13(10-12)16(18,19)20)11-15(24)21-4-5-22-6-8-27-9-7-22/h2-3,10H,4-9,11H2,1H3,(H,21,24)
InChIKeyAPXXAKXSABZEEB-UHFFFAOYSA-N
XLogP1.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6492929
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50945905
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2-chlorophenyl)propyl]acetamide
CID 30223544
2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113157278
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6494069
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1297414
2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50946442
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
N-(2-morpholin-4-ylethyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157492
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126270431

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide (CID 6492950) is 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide is CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is APXXAKXSABZEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N3O4S/c1-28(25,26)23(12-2-3-14(17)13(10-12)16(18,19)20)11-15(24)21-4-5-22-6-8-27-9-7-22/h2-3,10H,4-9,11H2,1H3,(H,21,24).
What are the key properties of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 443.88 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 6492950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).