N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide

C19H24N2O3S — CID 656707

IUPACN-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)25(23,24)20-13-15(3)16-9-11-18(12-10-16)21-19(22)17-7-5-4-6-8-17/h4-12,14-15,20H,13H2,1-3H3,(H,21,22)
InChIKeySQLIWPPPMPRBNN-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.37
Rot. Bonds7

About N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide

N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide (PubChem CID 656707) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
PubChem CID656707
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)25(23,24)20-13-15(3)16-9-11-18(12-10-16)21-19(22)17-7-5-4-6-8-17/h4-12,14-15,20H,13H2,1-3H3,(H,21,22)
InChIKeySQLIWPPPMPRBNN-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The IUPAC name of N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide (CID 656707) is N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide is CC(CNS(=O)(=O)C(C)C)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The InChIKey is SQLIWPPPMPRBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(2)25(23,24)20-13-15(3)16-9-11-18(12-10-16)21-19(22)17-7-5-4-6-8-17/h4-12,14-15,20H,13H2,1-3H3,(H,21,22).
What are the key properties of N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide is sourced from PubChem (CID 656707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).