N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide

C19H23N3O4S — CID 2968059

IUPACN-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-13(2)20-19(24)16-7-5-6-8-17(16)21-18(23)14-9-11-15(12-10-14)22-27(3,25)26/h5-13,22H,4H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyJGVWDRJCUJGSHY-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.84
Rot. Bonds7

About N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide

N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide (PubChem CID 2968059) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
PubChem CID2968059
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-13(2)20-19(24)16-7-5-6-8-17(16)21-18(23)14-9-11-15(12-10-14)22-27(3,25)26/h5-13,22H,4H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyJGVWDRJCUJGSHY-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
CID 92675184
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
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-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
2-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 126118513
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
CID 51179900
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 41466932

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide (CID 2968059) is N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide?
The InChIKey is JGVWDRJCUJGSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-13(2)20-19(24)16-7-5-6-8-17(16)21-18(23)14-9-11-15(12-10-14)22-27(3,25)26/h5-13,22H,4H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide?
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.84, 7 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-[[4-(methanesulfonamido)benzoyl]amino]benzamide is sourced from PubChem (CID 2968059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).