3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide

C21H26N2O4S — CID 33181811

IUPAC3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOCc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-9-10-19(14-20(16)28(25,26)23-11-4-3-5-12-23)22-21(24)18-8-6-7-17(13-18)15-27-2/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,22,24)
InChIKeyIDRWLWGHVMRJAZ-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.57
Rot. Bonds6

About 3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide

3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 33181811) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID33181811
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOCc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-9-10-19(14-20(16)28(25,26)23-11-4-3-5-12-23)22-21(24)18-8-6-7-17(13-18)15-27-2/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,22,24)
InChIKeyIDRWLWGHVMRJAZ-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 32638426
N-[3-(methoxymethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 32638427
3-(methoxymethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 9322729
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-nitrobenzamide
CID 17432348
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 98405237
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide
CID 9183599
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide (CID 33181811) is 3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide is COCc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is IDRWLWGHVMRJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-9-10-19(14-20(16)28(25,26)23-11-4-3-5-12-23)22-21(24)18-8-6-7-17(13-18)15-27-2/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,22,24).
What are the key properties of 3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 33181811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).