N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide

C24H34N2O3S — CID 15341057

IUPACN-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide
SMILESCC(C)c1cccc(C(C)C)c1NS(=O)(=O)CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C24H34N2O3S/c1-17(2)21-13-10-14-22(18(3)4)24(21)25-30(28,29)16-23(27)26(19(5)6)15-20-11-8-7-9-12-20/h7-14,17-19,25H,15-16H2,1-6H3
InChIKeyPSBVMZBAKZHHIG-UHFFFAOYSA-N
MW430.61 g/mol
LogP5.11
Rot. Bonds9

About N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide

N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide (PubChem CID 15341057) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide
PubChem CID15341057
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC NameN-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide
SMILESCC(C)c1cccc(C(C)C)c1NS(=O)(=O)CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C24H34N2O3S/c1-17(2)21-13-10-14-22(18(3)4)24(21)25-30(28,29)16-23(27)26(19(5)6)15-20-11-8-7-9-12-20/h7-14,17-19,25H,15-16H2,1-6H3
InChIKeyPSBVMZBAKZHHIG-UHFFFAOYSA-N
XLogP5.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.61
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide (CID 15341057) is N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide is CC(C)c1cccc(C(C)C)c1NS(=O)(=O)CC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide?
The InChIKey is PSBVMZBAKZHHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-17(2)21-13-10-14-22(18(3)4)24(21)25-30(28,29)16-23(27)26(19(5)6)15-20-11-8-7-9-12-20/h7-14,17-19,25H,15-16H2,1-6H3.
What are the key properties of N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide?
N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide has a molecular weight of 430.61 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 15341057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).