N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

C16H21F3N2O4S — CID 53286809

IUPACN-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O4S/c1-26(23,24)21(14-5-2-4-13(12-14)16(17,18)19)7-3-6-15(22)20-8-10-25-11-9-20/h2,4-5,12H,3,6-11H2,1H3
InChIKeyYGPDEQJBKREMGX-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.11
Rot. Bonds6

About N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 53286809) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID53286809
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC NameN-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O4S/c1-26(23,24)21(14-5-2-4-13(12-14)16(17,18)19)7-3-6-15(22)20-8-10-25-11-9-20/h2,4-5,12H,3,6-11H2,1H3
InChIKeyYGPDEQJBKREMGX-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53278261
N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286671
N-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286539
N-(3-chlorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 6499007
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245
N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53287648
N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141742
N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53286652
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286944
N-(2-morpholin-4-yl-2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50944502
N-(2,4-dimethylpentan-3-yl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286775
N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53288568

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 53286809) is N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is YGPDEQJBKREMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c1-26(23,24)21(14-5-2-4-13(12-14)16(17,18)19)7-3-6-15(22)20-8-10-25-11-9-20/h2,4-5,12H,3,6-11H2,1H3.
What are the key properties of N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 394.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 53286809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).