N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide

C23H28F2N2O4S — CID 134059127

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)c2)C1
InChIInChI=1S/C23H28F2N2O4S/c1-16-11-17(2)14-27(13-16)32(29,30)21-6-4-5-19(12-21)22(28)26(3)15-18-7-9-20(10-8-18)31-23(24)25/h4-10,12,16-17,23H,11,13-15H2,1-3H3
InChIKeyBJKGTTWYWNQERH-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.23
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide

N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide (PubChem CID 134059127) has the molecular formula C23H28F2N2O4S and a molecular weight of 466.55 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
PubChem CID134059127
Molecular FormulaC23H28F2N2O4S
Molecular Weight466.55 g/mol
Exact Mass466.17
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)c2)C1
InChIInChI=1S/C23H28F2N2O4S/c1-16-11-17(2)14-27(13-16)32(29,30)21-6-4-5-19(12-21)22(28)26(3)15-18-7-9-20(10-8-18)31-23(24)25/h4-10,12,16-17,23H,11,13-15H2,1-3H3
InChIKeyBJKGTTWYWNQERH-UHFFFAOYSA-N
XLogP4.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 26524631
N-[(2,4-difluorophenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
CID 134046605
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 42905156
N-[(4-methoxyphenyl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26250316
N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 39230100
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methylbenzamide
CID 98621805
(4-chlorophenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 16548573
N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
CID 60537681
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533218
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
N-[3-(dimethylamino)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 78781185
N-(3-butoxypropyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46799032

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide (CID 134059127) is N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)c2)C1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide?
The InChIKey is BJKGTTWYWNQERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O4S/c1-16-11-17(2)14-27(13-16)32(29,30)21-6-4-5-19(12-21)22(28)26(3)15-18-7-9-20(10-8-18)31-23(24)25/h4-10,12,16-17,23H,11,13-15H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide has a molecular weight of 466.55 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 134059127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).