4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

C23H25N3O3S — CID 139390942

IUPAC4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H25N3O3S/c1-16(2)19-8-10-21(11-9-19)30(28,29)26-22-13-20(7-6-17(22)3)23(27)25-15-18-5-4-12-24-14-18/h4-14,16,26H,15H2,1-3H3,(H,25,27)
InChIKeyWEKYSEQGGAEZSO-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.24
Rot. Bonds7

About 4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139390942) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139390942
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H25N3O3S/c1-16(2)19-8-10-21(11-9-19)30(28,29)26-22-13-20(7-6-17(22)3)23(27)25-15-18-5-4-12-24-14-18/h4-14,16,26H,15H2,1-3H3,(H,25,27)
InChIKeyWEKYSEQGGAEZSO-UHFFFAOYSA-N
XLogP4.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.24
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
Dibenzothiazepine, 12k
CID 42617997
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
(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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 139390942) is 4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is WEKYSEQGGAEZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-16(2)19-8-10-21(11-9-19)30(28,29)26-22-13-20(7-6-17(22)3)23(27)25-15-18-5-4-12-24-14-18/h4-14,16,26H,15H2,1-3H3,(H,25,27).
What are the key properties of 4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 423.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139390942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).