N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C23H25F3N2O4S — CID 37483746

IUPACN-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H25F3N2O4S/c1-16-2-5-18(14-21(16)33(30,31)27-10-12-32-13-11-27)22(29)28(20-8-9-20)15-17-3-6-19(7-4-17)23(24,25)26/h2-7,14,20H,8-13,15H2,1H3
InChIKeyQPNKKCLKFOBAFG-UHFFFAOYSA-N
MW482.52 g/mol
LogP3.84
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 37483746) has the molecular formula C23H25F3N2O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID37483746
Molecular FormulaC23H25F3N2O4S
Molecular Weight482.52 g/mol
Exact Mass482.15
IUPAC NameN-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H25F3N2O4S/c1-16-2-5-18(14-21(16)33(30,31)27-10-12-32-13-11-27)22(29)28(20-8-9-20)15-17-3-6-19(7-4-17)23(24,25)26/h2-7,14,20H,8-13,15H2,1H3
InChIKeyQPNKKCLKFOBAFG-UHFFFAOYSA-N
XLogP3.84
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide with MolForge

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Related Compounds

N-[(4-cyanophenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55993802
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31818714
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide
CID 55330320
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 25163174
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46579110
N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 37429678
N-(2,5-dimethylphenyl)-N-ethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55592874
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 41056658
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 37483746) is N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is QPNKKCLKFOBAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4S/c1-16-2-5-18(14-21(16)33(30,31)27-10-12-32-13-11-27)22(29)28(20-8-9-20)15-17-3-6-19(7-4-17)23(24,25)26/h2-7,14,20H,8-13,15H2,1H3.
What are the key properties of N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 482.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 37483746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).