3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide

C24H25N3O4S — CID 3622156

IUPAC3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3c3cccnc3)cc2)c1
InChIInChI=1S/C24H25N3O4S/c1-31-21-8-4-6-18(16-21)24(28)26-20-10-12-22(13-11-20)32(29,30)27-15-3-2-9-23(27)19-7-5-14-25-17-19/h4-8,10-14,16-17,23H,2-3,9,15H2,1H3,(H,26,28)
InChIKeySHHLUDNQRJAPLV-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.26
Rot. Bonds6

About 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide

3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 3622156) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID3622156
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3c3cccnc3)cc2)c1
InChIInChI=1S/C24H25N3O4S/c1-31-21-8-4-6-18(16-21)24(28)26-20-10-12-22(13-11-20)32(29,30)27-15-3-2-9-23(27)19-7-5-14-25-17-19/h4-8,10-14,16-17,23H,2-3,9,15H2,1H3,(H,26,28)
InChIKeySHHLUDNQRJAPLV-UHFFFAOYSA-N
XLogP4.26
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41048774
2-methoxy-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40607024
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
4-bromo-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40774853
4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41048759
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
2-ethoxy-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40774857
(E)-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 98142076
2-chloro-5-nitro-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41048753
2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide
CID 41048784
3-phenyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 5182057

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 3622156) is 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide is COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3c3cccnc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is SHHLUDNQRJAPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-31-21-8-4-6-18(16-21)24(28)26-20-10-12-22(13-11-20)32(29,30)27-15-3-2-9-23(27)19-7-5-14-25-17-19/h4-8,10-14,16-17,23H,2-3,9,15H2,1H3,(H,26,28).
What are the key properties of 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 3622156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).