N-benzyl-3-(propan-2-ylsulfonylamino)benzamide

C17H20N2O3S — CID 13321990

IUPACN-benzyl-3-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-13(2)23(21,22)19-16-10-6-9-15(11-16)17(20)18-12-14-7-4-3-5-8-14/h3-11,13,19H,12H2,1-2H3,(H,18,20)
InChIKeyDSOAYNIUOPHMTQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.77
Rot. Bonds6

About N-benzyl-3-(propan-2-ylsulfonylamino)benzamide

N-benzyl-3-(propan-2-ylsulfonylamino)benzamide (PubChem CID 13321990) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-benzyl-3-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(propan-2-ylsulfonylamino)benzamide
PubChem CID13321990
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-benzyl-3-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-13(2)23(21,22)19-16-10-6-9-15(11-16)17(20)18-12-14-7-4-3-5-8-14/h3-11,13,19H,12H2,1-2H3,(H,18,20)
InChIKeyDSOAYNIUOPHMTQ-UHFFFAOYSA-N
XLogP2.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-benzyl-3-(propan-2-ylsulfonylamino)benzamide (CID 13321990) is N-benzyl-3-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-benzyl-3-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-benzyl-3-(propan-2-ylsulfonylamino)benzamide is CC(C)S(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is DSOAYNIUOPHMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(2)23(21,22)19-16-10-6-9-15(11-16)17(20)18-12-14-7-4-3-5-8-14/h3-11,13,19H,12H2,1-2H3,(H,18,20).
What are the key properties of N-benzyl-3-(propan-2-ylsulfonylamino)benzamide?
N-benzyl-3-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 13321990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).