N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide

C23H30N2O6S — CID 3962822

IUPACN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H30N2O6S/c1-5-18-8-6-7-13-25(18)32(27,28)19-11-9-17(10-12-19)24-23(26)16-14-20(29-2)22(31-4)21(15-16)30-3/h9-12,14-15,18H,5-8,13H2,1-4H3,(H,24,26)
InChIKeyGAXRRBVNBDVFOS-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.92
Rot. Bonds8

About N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide (PubChem CID 3962822) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
PubChem CID3962822
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H30N2O6S/c1-5-18-8-6-7-13-25(18)32(27,28)19-11-9-17(10-12-19)24-23(26)16-14-20(29-2)22(31-4)21(15-16)30-3/h9-12,14-15,18H,5-8,13H2,1-4H3,(H,24,26)
InChIKeyGAXRRBVNBDVFOS-UHFFFAOYSA-N
XLogP3.92
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17256634
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
2-(3,4-dimethoxyphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2988784
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852
3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4664347
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 7234238
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 6467830
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide (CID 3962822) is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide is CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is GAXRRBVNBDVFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-5-18-8-6-7-13-25(18)32(27,28)19-11-9-17(10-12-19)24-23(26)16-14-20(29-2)22(31-4)21(15-16)30-3/h9-12,14-15,18H,5-8,13H2,1-4H3,(H,24,26).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide?
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 462.57 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 3962822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).