N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide

C22H23N3O3S — CID 46554430

IUPACN-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C22H23N3O3S/c1-2-15-29(27,28)25-19-12-8-11-18(16-19)22(26)24-21(17-9-4-3-5-10-17)20-13-6-7-14-23-20/h3-14,16,21,25H,2,15H2,1H3,(H,24,26)
InChIKeyLRIXSBIZTCFLPG-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.75
Rot. Bonds8

About N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide

N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide (PubChem CID 46554430) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide
PubChem CID46554430
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C22H23N3O3S/c1-2-15-29(27,28)25-19-12-8-11-18(16-19)22(26)24-21(17-9-4-3-5-10-17)20-13-6-7-14-23-20/h3-14,16,21,25H,2,15H2,1H3,(H,24,26)
InChIKeyLRIXSBIZTCFLPG-UHFFFAOYSA-N
XLogP3.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505
3-(methylsulfonylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78811700
3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 46550377
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
CID 55717538
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
(E)-2-[[3-(propylsulfonylamino)benzoyl]amino]hex-4-enoic acid
CID 120692413
N-phenylmethoxy-3-(propylsulfonylamino)benzamide
CID 32581421
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide (CID 46554430) is N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccccn2)c1.
What is the InChIKey of N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide?
The InChIKey is LRIXSBIZTCFLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-2-15-29(27,28)25-19-12-8-11-18(16-19)22(26)24-21(17-9-4-3-5-10-17)20-13-6-7-14-23-20/h3-14,16,21,25H,2,15H2,1H3,(H,24,26).
What are the key properties of N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide?
N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 46554430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).