3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide

C26H35N3O6S — CID 4850008

IUPAC3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C26H35N3O6S/c1-33-23-16-19(17-24(34-2)25(23)35-3)26(30)27-21-18-20(36(31,32)29-14-8-5-9-15-29)10-11-22(21)28-12-6-4-7-13-28/h10-11,16-18H,4-9,12-15H2,1-3H3,(H,27,30)
InChIKeyYNAUSFASESHQIJ-UHFFFAOYSA-N
MW517.65 g/mol
LogP4.13
Rot. Bonds8

About 3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide

3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4850008) has the molecular formula C26H35N3O6S and a molecular weight of 517.65 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID4850008
Molecular FormulaC26H35N3O6S
Molecular Weight517.65 g/mol
Exact Mass517.22
IUPAC Name3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C26H35N3O6S/c1-33-23-16-19(17-24(34-2)25(23)35-3)26(30)27-21-18-20(36(31,32)29-14-8-5-9-15-29)10-11-22(21)28-12-6-4-7-13-28/h10-11,16-18H,4-9,12-15H2,1-3H3,(H,27,30)
InChIKeyYNAUSFASESHQIJ-UHFFFAOYSA-N
XLogP4.13
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.65
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
3-methoxy-4-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55411892
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
4-acetamido-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26524447
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4986989
3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4521937
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 55429440
3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 4850008) is 3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide is COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is YNAUSFASESHQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O6S/c1-33-23-16-19(17-24(34-2)25(23)35-3)26(30)27-21-18-20(36(31,32)29-14-8-5-9-15-29)10-11-22(21)28-12-6-4-7-13-28/h10-11,16-18H,4-9,12-15H2,1-3H3,(H,27,30).
What are the key properties of 3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide?
3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 517.65 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4850008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).