N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide

C21H27N3O4S — CID 21367377

IUPACN-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H27N3O4S/c1-6-29(27,28)24(5)16-13-11-15(12-14-16)19(25)22-18-10-8-7-9-17(18)20(26)23-21(2,3)4/h7-14H,6H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyIADHSESOZMPHCI-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.25
Rot. Bonds6

About N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide

N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide (PubChem CID 21367377) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide
PubChem CID21367377
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H27N3O4S/c1-6-29(27,28)24(5)16-13-11-15(12-14-16)19(25)22-18-10-8-7-9-17(18)20(26)23-21(2,3)4/h7-14H,6H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyIADHSESOZMPHCI-UHFFFAOYSA-N
XLogP3.25
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
CID 2938137
N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21173367
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
4-tert-butyl-N-[3-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]phenyl]benzamide
CID 99956067
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92664179
2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 4143005
methyl 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]benzoate
CID 92664116
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide
CID 4069315
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide
CID 17201011

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide (CID 21367377) is N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide is CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide?
The InChIKey is IADHSESOZMPHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-6-29(27,28)24(5)16-13-11-15(12-14-16)19(25)22-18-10-8-7-9-17(18)20(26)23-21(2,3)4/h7-14H,6H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide?
N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide has a molecular weight of 417.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide is sourced from PubChem (CID 21367377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).