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

C22H23N3O3S — CID 139369408

IUPAC3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-17-7-10-20(11-8-17)29(27,28)25-21-13-19(9-6-16(21)2)22(26)24-15-18-5-4-12-23-14-18/h4-14,25H,3,15H2,1-2H3,(H,24,26)
InChIKeyGWBOTROJNWZFMJ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.68
Rot. Bonds7

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

3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139369408) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139369408
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-17-7-10-20(11-8-17)29(27,28)25-21-13-19(9-6-16(21)2)22(26)24-15-18-5-4-12-23-14-18/h4-14,25H,3,15H2,1-2H3,(H,24,26)
InChIKeyGWBOTROJNWZFMJ-UHFFFAOYSA-N
XLogP3.68
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.68
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
4-Acetyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 746813
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
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
Sulfonamide deriv., 7i
CID 44520905
N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 22245146
(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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 139369408) is 3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is CCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is GWBOTROJNWZFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-17-7-10-20(11-8-17)29(27,28)25-21-13-19(9-6-16(21)2)22(26)24-15-18-5-4-12-23-14-18/h4-14,25H,3,15H2,1-2H3,(H,24,26).
What are the key properties of 3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139369408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).