N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

C17H17N3O4S — CID 24584470

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3nc(CC(N)=O)cs3)c(C)c2c1
InChIInChI=1S/C17H17N3O4S/c1-3-23-11-4-5-13-12(7-11)9(2)15(24-13)16(22)20-17-19-10(8-25-17)6-14(18)21/h4-5,7-8H,3,6H2,1-2H3,(H2,18,21)(H,19,20,22)
InChIKeyJIZJUVGMMIKDQX-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.88
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24584470) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24584470
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3nc(CC(N)=O)cs3)c(C)c2c1
InChIInChI=1S/C17H17N3O4S/c1-3-23-11-4-5-13-12(7-11)9(2)15(24-13)16(22)20-17-19-10(8-25-17)6-14(18)21/h4-5,7-8H,3,6H2,1-2H3,(H2,18,21)(H,19,20,22)
InChIKeyJIZJUVGMMIKDQX-UHFFFAOYSA-N
XLogP2.88
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 102534728
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8885848
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285
5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7992606
ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 60578656
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
5-ethyl-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19241157

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 24584470) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)Nc3nc(CC(N)=O)cs3)c(C)c2c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is JIZJUVGMMIKDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-3-23-11-4-5-13-12(7-11)9(2)15(24-13)16(22)20-17-19-10(8-25-17)6-14(18)21/h4-5,7-8H,3,6H2,1-2H3,(H2,18,21)(H,19,20,22).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24584470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).