5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

C24H27N3O4S — CID 55993514

IUPAC5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(Cc3cccnc3)C(C)C)c2)cc1
InChIInChI=1S/C24H27N3O4S/c1-17(2)27(16-19-6-5-13-25-15-19)24(28)23-14-22(12-7-18(23)3)32(29,30)26-20-8-10-21(31-4)11-9-20/h5-15,17,26H,16H2,1-4H3
InChIKeyKXYOZIJDPOEECA-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.25
Rot. Bonds8

About 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 55993514) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID55993514
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(Cc3cccnc3)C(C)C)c2)cc1
InChIInChI=1S/C24H27N3O4S/c1-17(2)27(16-19-6-5-13-25-15-19)24(28)23-14-22(12-7-18(23)3)32(29,30)26-20-8-10-21(31-4)11-9-20/h5-15,17,26H,16H2,1-4H3
InChIKeyKXYOZIJDPOEECA-UHFFFAOYSA-N
XLogP4.25
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699
2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 60556723
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55455309
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 55488324
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976
N-(3-methoxy-2-methylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 47080226
1-[4-[(4-methoxy-2-methylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610845
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396261

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (CID 55993514) is 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(Cc3cccnc3)C(C)C)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is KXYOZIJDPOEECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-17(2)27(16-19-6-5-13-25-15-19)24(28)23-14-22(12-7-18(23)3)32(29,30)26-20-8-10-21(31-4)11-9-20/h5-15,17,26H,16H2,1-4H3.
What are the key properties of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 453.56 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 55993514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).