N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide

C18H22N4O4S — CID 156549528

IUPACN-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1coc(Nc2c3c(cc4c2CCC4)CCC3)n1
InChIInChI=1S/C18H22N4O4S/c1-22(2)27(24,25)21-17(23)15-10-26-18(19-15)20-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h9-10H,3-8H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyUYMHDPJPONYSQC-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.93
Rot. Bonds5

About N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide

N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide (PubChem CID 156549528) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide
PubChem CID156549528
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1coc(Nc2c3c(cc4c2CCC4)CCC3)n1
InChIInChI=1S/C18H22N4O4S/c1-22(2)27(24,25)21-17(23)15-10-26-18(19-15)20-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h9-10H,3-8H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyUYMHDPJPONYSQC-UHFFFAOYSA-N
XLogP1.93
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide (CID 156549528) is N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide is CN(C)S(=O)(=O)NC(=O)c1coc(Nc2c3c(cc4c2CCC4)CCC3)n1.
What is the InChIKey of N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is UYMHDPJPONYSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-22(2)27(24,25)21-17(23)15-10-26-18(19-15)20-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h9-10H,3-8H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide?
N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).