3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide

C22H23N3O3S — CID 139373111

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1C
InChIInChI=1S/C22H23N3O3S/c1-15-7-9-20(11-17(15)3)29(27,28)25-21-12-19(8-6-16(21)2)22(26)24-14-18-5-4-10-23-13-18/h4-13,25H,14H2,1-3H3,(H,24,26)
InChIKeyKLKUHKNOAADGSE-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.74
Rot. Bonds6

About 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide

3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139373111) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139373111
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1C
InChIInChI=1S/C22H23N3O3S/c1-15-7-9-20(11-17(15)3)29(27,28)25-21-12-19(8-6-16(21)2)22(26)24-14-18-5-4-10-23-13-18/h4-13,25H,14H2,1-3H3,(H,24,26)
InChIKeyKLKUHKNOAADGSE-UHFFFAOYSA-N
XLogP3.74
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446276
Stf-31
CID 984333
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446277
2-Amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benzamide
CID 16047968
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(2,5-dimethylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155564947
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 139373111) is 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is KLKUHKNOAADGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-7-9-20(11-17(15)3)29(27,28)25-21-12-19(8-6-16(21)2)22(26)24-14-18-5-4-10-23-13-18/h4-13,25H,14H2,1-3H3,(H,24,26).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139373111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).