4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide

C24H21N3O3S — CID 149019947

IUPAC4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H21N3O3S/c1-17-8-9-21(24(28)26-16-18-5-4-12-25-15-18)14-23(17)27-31(29,30)22-11-10-19-6-2-3-7-20(19)13-22/h2-15,27H,16H2,1H3,(H,26,28)
InChIKeyQDGQWQPXMRYQTC-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.27
Rot. Bonds6

About 4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide

4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 149019947) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID149019947
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H21N3O3S/c1-17-8-9-21(24(28)26-16-18-5-4-12-25-15-18)14-23(17)27-31(29,30)22-11-10-19-6-2-3-7-20(19)13-22/h2-15,27H,16H2,1H3,(H,26,28)
InChIKeyQDGQWQPXMRYQTC-UHFFFAOYSA-N
XLogP4.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Stf-31
CID 984333
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-[(2,5-dimethylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155564947
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2386434
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4877448
[4-(Naphthalene-2-sulfonyl)-piperazin-1-yl]-pyridin-3-yl-methanone
CID 1151521
1-ethyl-2-oxo-N-(2-pyridinylmethyl)-6-benzo[cd]indolesulfonamide
CID 1192821
N-Benzyl-N-pyridin-3-ylmethyl-2-(toluene-4-sulfonylamino)-benzamide
CID 9826037
N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 9889729
N-[4-(1-butyryl-piperidin-4-ylsulfamoyl)-naphthalen-1-yl]-2-methyl-nicotinamide
CID 16105865

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide (CID 149019947) is 4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QDGQWQPXMRYQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-17-8-9-21(24(28)26-16-18-5-4-12-25-15-18)14-23(17)27-31(29,30)22-11-10-19-6-2-3-7-20(19)13-22/h2-15,27H,16H2,1H3,(H,26,28).
What are the key properties of 4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide?
4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 431.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(naphthalen-2-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 149019947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).