N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide

C20H24N2O4S — CID 17309531

IUPACN-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H24N2O4S/c1-14-9-11-15(12-10-14)27(25,26)13-18(23)21-17-8-6-5-7-16(17)19(24)22-20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyVPLJXUMELQCUAT-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.94
Rot. Bonds5

About N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide

N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide (PubChem CID 17309531) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide
PubChem CID17309531
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H24N2O4S/c1-14-9-11-15(12-10-14)27(25,26)13-18(23)21-17-8-6-5-7-16(17)19(24)22-20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyVPLJXUMELQCUAT-UHFFFAOYSA-N
XLogP2.94
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(benzenesulfonyl)propanoylamino]-N-tert-butylbenzamide
CID 17310177
2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide
CID 17256954
N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
CID 56782844
2-(4-methylphenyl)sulfonyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17309534
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
CID 2966880
2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17309535
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide
CID 24676607
N-[(2S)-butan-2-yl]-2-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 39996049
N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide
CID 5175409
ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate
CID 2991099
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
CID 2990149

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide (CID 17309531) is N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide?
The InChIKey is VPLJXUMELQCUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-9-11-15(12-10-14)27(25,26)13-18(23)21-17-8-6-5-7-16(17)19(24)22-20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide?
N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide is sourced from PubChem (CID 17309531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).