N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C20H26N2O4S — CID 86950492

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c(C)o1
InChIInChI=1S/C20H26N2O4S/c1-14-7-4-5-10-22(14)27(24,25)19-9-6-8-17(12-19)20(23)21-13-18-11-15(2)26-16(18)3/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3,(H,21,23)
InChIKeyQGKVDXNRUMXWQD-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.39
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 86950492) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID86950492
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c(C)o1
InChIInChI=1S/C20H26N2O4S/c1-14-7-4-5-10-22(14)27(24,25)19-9-6-8-17(12-19)20(23)21-13-18-11-15(2)26-16(18)3/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3,(H,21,23)
InChIKeyQGKVDXNRUMXWQD-UHFFFAOYSA-N
XLogP3.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 42930977
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9080360
3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463606
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227506
N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55968305
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 86950492) is N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is QGKVDXNRUMXWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-7-4-5-10-22(14)27(24,25)19-9-6-8-17(12-19)20(23)21-13-18-11-15(2)26-16(18)3/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3,(H,21,23).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 390.51 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 86950492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).