4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide

C19H24N2O3S — CID 1315938

IUPAC4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCN(c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)15-11-9-14(10-12-15)18(22)20-16-7-6-8-17(13-16)21(4)25(5,23)24/h6-13H,1-5H3,(H,20,22)
InChIKeyHGXPPJJWNPZCMM-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.63
Rot. Bonds4

About 4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide

4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 1315938) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID1315938
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCN(c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)15-11-9-14(10-12-15)18(22)20-16-7-6-8-17(13-16)21(4)25(5,23)24/h6-13H,1-5H3,(H,20,22)
InChIKeyHGXPPJJWNPZCMM-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 1315938) is 4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is CN(c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O.
What is the InChIKey of 4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is HGXPPJJWNPZCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)15-11-9-14(10-12-15)18(22)20-16-7-6-8-17(13-16)21(4)25(5,23)24/h6-13H,1-5H3,(H,20,22).
What are the key properties of 4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 1315938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).