4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C20H24N2O4S — CID 17311372

IUPAC4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-4-3-13-22(14-15)27(24,25)19-11-7-17(8-12-19)21-20(23)16-5-9-18(26-2)10-6-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyZEOLMCFBDMRPJY-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.37
Rot. Bonds5

About 4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 17311372) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID17311372
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-4-3-13-22(14-15)27(24,25)19-11-7-17(8-12-19)21-20(23)16-5-9-18(26-2)10-6-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyZEOLMCFBDMRPJY-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 43035680
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17192773
methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
CID 43049761
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
1-(4-methoxyphenyl)-2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]guanidine;hydroiodide
CID 111059244
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 17311372) is 4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is ZEOLMCFBDMRPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-4-3-13-22(14-15)27(24,25)19-11-7-17(8-12-19)21-20(23)16-5-9-18(26-2)10-6-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 17311372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).