N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide

C15H22N2O4S — CID 56782844

IUPACN-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)17-14(19)11-7-5-6-8-12(11)16-13(18)9-10-22(4,20)21/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyLELANPBHLQLTKC-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.59
Rot. Bonds5

About N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide

N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide (PubChem CID 56782844) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
PubChem CID56782844
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)17-14(19)11-7-5-6-8-12(11)16-13(18)9-10-22(4,20)21/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyLELANPBHLQLTKC-UHFFFAOYSA-N
XLogP1.59
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(benzenesulfonyl)propanoylamino]-N-tert-butylbenzamide
CID 17310177
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
CID 2990149
N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100512833
2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 17339119
2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide
CID 17256954
N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide
CID 17309531
3-methylsulfonyl-N-naphthalen-1-ylpropanamide
CID 127504646
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
CID 94642296
2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
CID 119280561
N-tert-butyl-2-[4-(2,4-dichlorophenoxy)butanoylamino]benzamide
CID 4530961

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide?
The IUPAC name of N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide (CID 56782844) is N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide.
What is the SMILES notation for N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide?
The canonical SMILES for N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide?
The InChIKey is LELANPBHLQLTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-15(2,3)17-14(19)11-7-5-6-8-12(11)16-13(18)9-10-22(4,20)21/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide?
N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide has a molecular weight of 326.42 g/mol, XLogP of 1.59, 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-(3-methylsulfonylpropanoylamino)benzamide is sourced from PubChem (CID 56782844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).