3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C22H28N2O6S — CID 17311736

IUPAC3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O6S/c1-15-6-5-11-24(14-15)31(26,27)18-9-7-17(8-10-18)23-22(25)16-12-19(28-2)21(30-4)20(13-16)29-3/h7-10,12-13,15H,5-6,11,14H2,1-4H3,(H,23,25)
InChIKeyLCMTZHUBNHTSDG-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.39
Rot. Bonds7

About 3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 17311736) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID17311736
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O6S/c1-15-6-5-11-24(14-15)31(26,27)18-9-7-17(8-10-18)23-22(25)16-12-19(28-2)21(30-4)20(13-16)29-3/h7-10,12-13,15H,5-6,11,14H2,1-4H3,(H,23,25)
InChIKeyLCMTZHUBNHTSDG-UHFFFAOYSA-N
XLogP3.39
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
1-(3,4-dimethoxyphenyl)-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27109373
methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
CID 43049761
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
3,4,5-trimethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 5175821
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55477863
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 17311736) is 3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is LCMTZHUBNHTSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-15-6-5-11-24(14-15)31(26,27)18-9-7-17(8-10-18)23-22(25)16-12-19(28-2)21(30-4)20(13-16)29-3/h7-10,12-13,15H,5-6,11,14H2,1-4H3,(H,23,25).
What are the key properties of 3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 448.54 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 17311736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).