2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide

C25H27N3O4S — CID 2943385

IUPAC2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-18(2)26-25(30)22-12-8-9-13-23(22)27-24(29)19-14-16-20(17-15-19)28(3)33(31,32)21-10-6-5-7-11-21/h5-18H,4H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyPDFAZNNEDKGFAY-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.29
Rot. Bonds8

About 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide

2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide (PubChem CID 2943385) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
PubChem CID2943385
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-18(2)26-25(30)22-12-8-9-13-23(22)27-24(29)19-14-16-20(17-15-19)28(3)33(31,32)21-10-6-5-7-11-21/h5-18H,4H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyPDFAZNNEDKGFAY-UHFFFAOYSA-N
XLogP4.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide
CID 17201011
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697
2-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 126118513
4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide
CID 126140576
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide?
The IUPAC name of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide (CID 2943385) is 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide.
What is the SMILES notation for 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide?
The canonical SMILES for 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide?
The InChIKey is PDFAZNNEDKGFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-18(2)26-25(30)22-12-8-9-13-23(22)27-24(29)19-14-16-20(17-15-19)28(3)33(31,32)21-10-6-5-7-11-21/h5-18H,4H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide?
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide has a molecular weight of 465.58 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide is sourced from PubChem (CID 2943385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).