N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide

C20H24N2O2S — CID 87006555

IUPACN-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
SMILESCSCc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C20H24N2O2S/c1-20(2,3)22-19(24)16-6-5-7-17(12-16)21-18(23)15-10-8-14(9-11-15)13-25-4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyCAFDEMUMVYMMDG-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.33
Rot. Bonds5

About N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide

N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide (PubChem CID 87006555) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
PubChem CID87006555
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
SMILESCSCc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C20H24N2O2S/c1-20(2,3)22-19(24)16-6-5-7-17(12-16)21-18(23)15-10-8-14(9-11-15)13-25-4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyCAFDEMUMVYMMDG-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 18271385
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 9107968
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide
CID 8777105
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide (CID 87006555) is N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide is CSCc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide?
The InChIKey is CAFDEMUMVYMMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-20(2,3)22-19(24)16-6-5-7-17(12-16)21-18(23)15-10-8-14(9-11-15)13-25-4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide?
N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide has a molecular weight of 356.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 87006555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).