4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide

C25H26N2O4S — CID 23904570

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H26N2O4S/c1-19-15-17-27(18-16-19)32(29,30)22-13-11-20(12-14-22)25(28)26-23-9-5-6-10-24(23)31-21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3,(H,26,28)
InChIKeyLIIIQCOGTUIJOK-UHFFFAOYSA-N
MW450.56 g/mol
LogP5.15
Rot. Bonds6

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide (PubChem CID 23904570) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide
PubChem CID23904570
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H26N2O4S/c1-19-15-17-27(18-16-19)32(29,30)22-13-11-20(12-14-22)25(28)26-23-9-5-6-10-24(23)31-21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3,(H,26,28)
InChIKeyLIIIQCOGTUIJOK-UHFFFAOYSA-N
XLogP5.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 71904717
N-[2-(methoxymethyl)phenyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55780199
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26115158
N-(2-ethoxy-3-pyridinyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 34877593
N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26239772
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
4-methoxy-N-(2-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26881544
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-phenoxyphenyl)benzamide
CID 38099477
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide
CID 19258158
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide (CID 23904570) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide?
The InChIKey is LIIIQCOGTUIJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-19-15-17-27(18-16-19)32(29,30)22-13-11-20(12-14-22)25(28)26-23-9-5-6-10-24(23)31-21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3,(H,26,28).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide has a molecular weight of 450.56 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 23904570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).