N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide

C20H21N3O5S2 — CID 58088858

IUPACN-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide
SMILES[2H]c1c(C([2H])([2H])[2H])cc(C(=O)C([2H])([2H])[2H])c(N([2H])C(=O)c2sccc2S(=O)(=O)N([2H])c2onc(C([2H])([2H])[2H])c2C)c1C([2H])([2H])[2H]
InChIInChI=1S/C20H21N3O5S2/c1-10-8-11(2)17(15(9-10)14(5)24)21-19(25)18-16(6-7-29-18)30(26,27)23-20-12(3)13(4)22-28-20/h6-9,23H,1-5H3,(H,21,25)/i1D3,2D3,4D3,5D3,8D/hD2
InChIKeyIAYNHDZSSDUYHY-PSBAMGOFSA-N
MW462.63 g/mol
LogP4.23
Rot. Bonds10

About N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide

N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide (PubChem CID 58088858) has the molecular formula C20H21N3O5S2 and a molecular weight of 462.63 g/mol. Its IUPAC name is N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide
PubChem CID58088858
Molecular FormulaC20H21N3O5S2
Molecular Weight462.63 g/mol
Exact Mass462.19
IUPAC NameN-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide
SMILES[2H]c1c(C([2H])([2H])[2H])cc(C(=O)C([2H])([2H])[2H])c(N([2H])C(=O)c2sccc2S(=O)(=O)N([2H])c2onc(C([2H])([2H])[2H])c2C)c1C([2H])([2H])[2H]
InChIInChI=1S/C20H21N3O5S2/c1-10-8-11(2)17(15(9-10)14(5)24)21-19(25)18-16(6-7-29-18)30(26,27)23-20-12(3)13(4)22-28-20/h6-9,23H,1-5H3,(H,21,25)/i1D3,2D3,4D3,5D3,8D/hD2
InChIKeyIAYNHDZSSDUYHY-PSBAMGOFSA-N
XLogP4.23
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.63
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide (CID 58088858) is N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide is [2H]c1c(C([2H])([2H])[2H])cc(C(=O)C([2H])([2H])[2H])c(N([2H])C(=O)c2sccc2S(=O)(=O)N([2H])c2onc(C([2H])([2H])[2H])c2C)c1C([2H])([2H])[2H].
What is the InChIKey of N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is IAYNHDZSSDUYHY-PSBAMGOFSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-10-8-11(2)17(15(9-10)14(5)24)21-19(25)18-16(6-7-29-18)30(26,27)23-20-12(3)13(4)22-28-20/h6-9,23H,1-5H3,(H,21,25)/i1D3,2D3,4D3,5D3,8D/hD2.
What are the key properties of N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide?
N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 462.63 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 58088858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).