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

C23H23N3O3S — CID 139390983

IUPAC3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C23H23N3O3S/c1-16-4-5-20(23(27)25-15-17-3-2-12-24-14-17)13-22(16)26-30(28,29)21-10-8-19(9-11-21)18-6-7-18/h2-5,8-14,18,26H,6-7,15H2,1H3,(H,25,27)
InChIKeyOERUFYZMSORITQ-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.00
Rot. Bonds7

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

3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139390983) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139390983
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C23H23N3O3S/c1-16-4-5-20(23(27)25-15-17-3-2-12-24-14-17)13-22(16)26-30(28,29)21-10-8-19(9-11-21)18-6-7-18/h2-5,8-14,18,26H,6-7,15H2,1H3,(H,25,27)
InChIKeyOERUFYZMSORITQ-UHFFFAOYSA-N
XLogP4.00
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Stf-31
CID 984333
(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446276
(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
(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
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
4-pyridyl-N-[2-(4-sulfamoylphenyl)ethyl]carboxamide
CID 2108328
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2386434
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 139390983) is 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(C2CC2)cc1.
What is the InChIKey of 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is OERUFYZMSORITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-16-4-5-20(23(27)25-15-17-3-2-12-24-14-17)13-22(16)26-30(28,29)21-10-8-19(9-11-21)18-6-7-18/h2-5,8-14,18,26H,6-7,15H2,1H3,(H,25,27).
What are the key properties of 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 421.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139390983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).