N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C18H20N2O3S — CID 95322422

IUPACN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCCc1nc(CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)sc1C
InChIInChI=1S/C18H20N2O3S/c1-3-14-11(2)24-17(20-14)8-9-19-16(21)10-15-12-6-4-5-7-13(12)18(22)23-15/h4-7,15H,3,8-10H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyJDYZKLPSOGBOJW-HNNXBMFYSA-N
MW344.44 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 95322422) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID95322422
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCCc1nc(CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)sc1C
InChIInChI=1S/C18H20N2O3S/c1-3-14-11(2)24-17(20-14)8-9-19-16(21)10-15-12-6-4-5-7-13(12)18(22)23-15/h4-7,15H,3,8-10H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyJDYZKLPSOGBOJW-HNNXBMFYSA-N
XLogP2.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 95322422) is N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is CCc1nc(CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)sc1C.
What is the InChIKey of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is JDYZKLPSOGBOJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-14-11(2)24-17(20-14)8-9-19-16(21)10-15-12-6-4-5-7-13(12)18(22)23-15/h4-7,15H,3,8-10H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 95322422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).