N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide

C19H23N3O4S — CID 34735238

IUPACN-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C19H23N3O4S/c1-4-13(2)21-19(24)16-10-5-6-11-17(16)22-18(23)14-8-7-9-15(12-14)27(25,26)20-3/h5-13,20H,4H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyVPBFVVLRFNAKKZ-CYBMUJFWSA-N
MW389.48 g/mol
LogP2.38
Rot. Bonds7

About N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide

N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 34735238) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
PubChem CID34735238
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C19H23N3O4S/c1-4-13(2)21-19(24)16-10-5-6-11-17(16)22-18(23)14-8-7-9-15(12-14)27(25,26)20-3/h5-13,20H,4H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyVPBFVVLRFNAKKZ-CYBMUJFWSA-N
XLogP2.38
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 41466932
N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 90681061
N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706203
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214
N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 19062390
N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 100620245
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide (CID 34735238) is N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide is CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is VPBFVVLRFNAKKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-13(2)21-19(24)16-10-5-6-11-17(16)22-18(23)14-8-7-9-15(12-14)27(25,26)20-3/h5-13,20H,4H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide?
N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 34735238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).