N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide

C24H25N3O4S — CID 43842741

IUPACN-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1c(NC(=O)c2cc(-c3ccc4c(c3)CC(C)O4)on2)sc2c1CCCC2
InChIInChI=1S/C24H25N3O4S/c1-3-25-23(29)21-16-6-4-5-7-20(16)32-24(21)26-22(28)17-12-19(31-27-17)14-8-9-18-15(11-14)10-13(2)30-18/h8-9,11-13H,3-7,10H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyVYAVYALIXPWNTO-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.61
Rot. Bonds5

About N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide

N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 43842741) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID43842741
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1c(NC(=O)c2cc(-c3ccc4c(c3)CC(C)O4)on2)sc2c1CCCC2
InChIInChI=1S/C24H25N3O4S/c1-3-25-23(29)21-16-6-4-5-7-20(16)32-24(21)26-22(28)17-12-19(31-27-17)14-8-9-18-15(11-14)10-13(2)30-18/h8-9,11-13H,3-7,10H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyVYAVYALIXPWNTO-UHFFFAOYSA-N
XLogP4.61
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide (CID 43842741) is N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide is CCNC(=O)c1c(NC(=O)c2cc(-c3ccc4c(c3)CC(C)O4)on2)sc2c1CCCC2.
What is the InChIKey of N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VYAVYALIXPWNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-3-25-23(29)21-16-6-4-5-7-20(16)32-24(21)26-22(28)17-12-19(31-27-17)14-8-9-18-15(11-14)10-13(2)30-18/h8-9,11-13H,3-7,10H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide?
N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43842741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).