N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide

C20H23F3N2O4S — CID 55452872

IUPACN-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O4S/c1-15-6-2-3-10-25(15)30(27,28)18-9-4-7-16(12-18)19(26)24(14-20(21,22)23)13-17-8-5-11-29-17/h4-5,7-9,11-12,15H,2-3,6,10,13-14H2,1H3
InChIKeyXIXZCNDBNVAHJB-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.05
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide

N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55452872) has the molecular formula C20H23F3N2O4S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55452872
Molecular FormulaC20H23F3N2O4S
Molecular Weight444.48 g/mol
Exact Mass444.13
IUPAC NameN-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O4S/c1-15-6-2-3-10-25(15)30(27,28)18-9-4-7-16(12-18)19(26)24(14-20(21,22)23)13-17-8-5-11-29-17/h4-5,7-9,11-12,15H,2-3,6,10,13-14H2,1H3
InChIKeyXIXZCNDBNVAHJB-UHFFFAOYSA-N
XLogP4.05
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55993419
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9080360
3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
CID 37429700
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55918100
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55587870
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55958037
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452795
(2R)-1-[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]piperidine-2-carboxylic acid
CID 40809123

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (CID 55452872) is N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XIXZCNDBNVAHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4S/c1-15-6-2-3-10-25(15)30(27,28)18-9-4-7-16(12-18)19(26)24(14-20(21,22)23)13-17-8-5-11-29-17/h4-5,7-9,11-12,15H,2-3,6,10,13-14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 444.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55452872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).