2-(N-methylsulfonylanilino)-5-propylbenzamide

C17H20N2O3S — CID 140507487

IUPAC2-(N-methylsulfonylanilino)-5-propylbenzamide
SMILESCCCc1ccc(N(c2ccccc2)S(C)(=O)=O)c(C(N)=O)c1
InChIInChI=1S/C17H20N2O3S/c1-3-7-13-10-11-16(15(12-13)17(18)20)19(23(2,21)22)14-8-5-4-6-9-14/h4-6,8-12H,3,7H2,1-2H3,(H2,18,20)
InChIKeyVKJOXKBHOUMWIF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.84
Rot. Bonds6

About 2-(N-methylsulfonylanilino)-5-propylbenzamide

2-(N-methylsulfonylanilino)-5-propylbenzamide (PubChem CID 140507487) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-5-propylbenzamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-5-propylbenzamide
PubChem CID140507487
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(N-methylsulfonylanilino)-5-propylbenzamide
SMILESCCCc1ccc(N(c2ccccc2)S(C)(=O)=O)c(C(N)=O)c1
InChIInChI=1S/C17H20N2O3S/c1-3-7-13-10-11-16(15(12-13)17(18)20)19(23(2,21)22)14-8-5-4-6-9-14/h4-6,8-12H,3,7H2,1-2H3,(H2,18,20)
InChIKeyVKJOXKBHOUMWIF-UHFFFAOYSA-N
XLogP2.84
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-5-propylbenzamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-5-propylbenzamide (CID 140507487) is 2-(N-methylsulfonylanilino)-5-propylbenzamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-5-propylbenzamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-5-propylbenzamide is CCCc1ccc(N(c2ccccc2)S(C)(=O)=O)c(C(N)=O)c1.
What is the InChIKey of 2-(N-methylsulfonylanilino)-5-propylbenzamide?
The InChIKey is VKJOXKBHOUMWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-7-13-10-11-16(15(12-13)17(18)20)19(23(2,21)22)14-8-5-4-6-9-14/h4-6,8-12H,3,7H2,1-2H3,(H2,18,20).
What are the key properties of 2-(N-methylsulfonylanilino)-5-propylbenzamide?
2-(N-methylsulfonylanilino)-5-propylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-5-propylbenzamide is sourced from PubChem (CID 140507487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).