N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide

C16H20N4O4S — CID 156549817

IUPACN-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide
SMILESCc1ccc2c(c1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1)CCC2
InChIInChI=1S/C16H20N4O4S/c1-10-7-8-11-5-4-6-12(11)14(10)18-16-17-13(9-24-16)15(21)19-25(22,23)20(2)3/h7-9H,4-6H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyOKCFQPSFEFXDTN-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.75
Rot. Bonds5

About N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide

N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide (PubChem CID 156549817) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide
PubChem CID156549817
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide
SMILESCc1ccc2c(c1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1)CCC2
InChIInChI=1S/C16H20N4O4S/c1-10-7-8-11-5-4-6-12(11)14(10)18-16-17-13(9-24-16)15(21)19-25(22,23)20(2)3/h7-9H,4-6H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyOKCFQPSFEFXDTN-UHFFFAOYSA-N
XLogP1.75
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide (CID 156549817) is N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide is Cc1ccc2c(c1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1)CCC2.
What is the InChIKey of N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide?
The InChIKey is OKCFQPSFEFXDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-10-7-8-11-5-4-6-12(11)14(10)18-16-17-13(9-24-16)15(21)19-25(22,23)20(2)3/h7-9H,4-6H2,1-3H3,(H,17,18)(H,19,21).
What are the key properties of N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide?
N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-2-[(5-methyl-2,3-dihydro-1H-inden-4-yl)amino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).