N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide

C19H24N2O3S — CID 3643187

IUPACN-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-18(19(22)20-13-16-9-5-14(2)6-10-16)21-25(23,24)17-11-7-15(3)8-12-17/h5-12,18,21H,4,13H2,1-3H3,(H,20,22)
InChIKeyPLOOULXSFATFOE-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.68
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide

N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 3643187) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
PubChem CID3643187
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-18(19(22)20-13-16-9-5-14(2)6-10-16)21-25(23,24)17-11-7-15(3)8-12-17/h5-12,18,21H,4,13H2,1-3H3,(H,20,22)
InChIKeyPLOOULXSFATFOE-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide (CID 3643187) is N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide is CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is PLOOULXSFATFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-18(19(22)20-13-16-9-5-14(2)6-10-16)21-25(23,24)17-11-7-15(3)8-12-17/h5-12,18,21H,4,13H2,1-3H3,(H,20,22).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide?
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 360.48 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 3643187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).