N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide

C26H29N3O4S — CID 90681061

IUPACN-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C26H29N3O4S/c1-5-19(4)27-26(31)22-11-6-7-12-23(22)28-25(30)20-9-8-10-21(16-20)34(32,33)29-24-15-17(2)13-14-18(24)3/h6-16,19,29H,5H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyRSAMYFUHJKFGCA-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.88
Rot. Bonds8

About N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide

N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 90681061) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID90681061
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C26H29N3O4S/c1-5-19(4)27-26(31)22-11-6-7-12-23(22)28-25(30)20-9-8-10-21(16-20)34(32,33)29-24-15-17(2)13-14-18(24)3/h6-16,19,29H,5H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyRSAMYFUHJKFGCA-UHFFFAOYSA-N
XLogP4.88
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 34735238
N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 19062390
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 41466932
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
N-butan-2-yl-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109063059
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 126415438
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide
CID 109063065

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide (CID 90681061) is N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is RSAMYFUHJKFGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-5-19(4)27-26(31)22-11-6-7-12-23(22)28-25(30)20-9-8-10-21(16-20)34(32,33)29-24-15-17(2)13-14-18(24)3/h6-16,19,29H,5H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide?
N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 479.60 g/mol, XLogP of 4.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 90681061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).