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

C21H26N2O5S — CID 17311561

IUPAC3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c1
InChIInChI=1S/C21H26N2O5S/c1-15-5-4-10-23(14-15)29(25,26)20-8-6-17(7-9-20)22-21(24)16-11-18(27-2)13-19(12-16)28-3/h6-9,11-13,15H,4-5,10,14H2,1-3H3,(H,22,24)
InChIKeyKUNZEVXJSLAYQI-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.38
Rot. Bonds6

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

3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 17311561) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID17311561
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c1
InChIInChI=1S/C21H26N2O5S/c1-15-5-4-10-23(14-15)29(25,26)20-8-6-17(7-9-20)22-21(24)16-11-18(27-2)13-19(12-16)28-3/h6-9,11-13,15H,4-5,10,14H2,1-3H3,(H,22,24)
InChIKeyKUNZEVXJSLAYQI-UHFFFAOYSA-N
XLogP3.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
CID 43049761
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
4-(azepan-1-ylsulfonyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 7772876
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17192773
3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 43035680
1-(3,4-dimethoxyphenyl)-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27109373

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 17311561) is 3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is KUNZEVXJSLAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-15-5-4-10-23(14-15)29(25,26)20-8-6-17(7-9-20)22-21(24)16-11-18(27-2)13-19(12-16)28-3/h6-9,11-13,15H,4-5,10,14H2,1-3H3,(H,22,24).
What are the key properties of 3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 17311561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).