N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

C21H26N2O6S — CID 18892206

IUPACN-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C21H26N2O6S/c1-27-16-8-9-17(19(14-16)29-3)22-21(24)15-7-10-18(28-2)20(13-15)30(25,26)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24)
InChIKeySFXHCLNAOCOTMC-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.14
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 18892206) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
PubChem CID18892206
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C21H26N2O6S/c1-27-16-8-9-17(19(14-16)29-3)22-21(24)15-7-10-18(28-2)20(13-15)30(25,26)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24)
InChIKeySFXHCLNAOCOTMC-UHFFFAOYSA-N
XLogP3.14
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059853
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
4-methoxy-N-(2-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26881544
4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24681357
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 27298305
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (CID 18892206) is N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SFXHCLNAOCOTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-16-8-9-17(19(14-16)29-3)22-21(24)15-7-10-18(28-2)20(13-15)30(25,26)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 434.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18892206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).