N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide

C16H21ClF3N3O4S — CID 42936462

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide
SMILESCC1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C16H21ClF3N3O4S/c1-10-7-23(8-11(2)27-10)28(25,26)22(3)9-15(24)21-12-4-5-14(17)13(6-12)16(18,19)20/h4-6,10-11H,7-9H2,1-3H3,(H,21,24)
InChIKeyLMHRIBWDLVJGHZ-UHFFFAOYSA-N
MW443.88 g/mol
LogP2.58
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide (PubChem CID 42936462) has the molecular formula C16H21ClF3N3O4S and a molecular weight of 443.88 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide
PubChem CID42936462
Molecular FormulaC16H21ClF3N3O4S
Molecular Weight443.88 g/mol
Exact Mass443.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide
SMILESCC1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C16H21ClF3N3O4S/c1-10-7-23(8-11(2)27-10)28(25,26)22(3)9-15(24)21-12-4-5-14(17)13(6-12)16(18,19)20/h4-6,10-11H,7-9H2,1-3H3,(H,21,24)
InChIKeyLMHRIBWDLVJGHZ-UHFFFAOYSA-N
XLogP2.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 26528259
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1021379
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40855456
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 26941957
2-[(3-acetylphenyl)sulfonyl-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 17396453
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 60501683
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 19798403
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711413
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide
CID 26293555
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-oxochromen-6-yl)sulfonylamino]acetamide
CID 24678197
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide (CID 42936462) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide is CC1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(C)O1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide?
The InChIKey is LMHRIBWDLVJGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N3O4S/c1-10-7-23(8-11(2)27-10)28(25,26)22(3)9-15(24)21-12-4-5-14(17)13(6-12)16(18,19)20/h4-6,10-11H,7-9H2,1-3H3,(H,21,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide has a molecular weight of 443.88 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 42936462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).