N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide

C17H18N2O3S — CID 44916334

IUPACN-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2cc3cc(OCC)ccc3o2)cs1
InChIInChI=1S/C17H18N2O3S/c1-3-5-16(20)19-17-18-13(10-23-17)15-9-11-8-12(21-4-2)6-7-14(11)22-15/h6-10H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyJGCLKZPIPGAJHO-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.69
Rot. Bonds6

About N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide

N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 44916334) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID44916334
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2cc3cc(OCC)ccc3o2)cs1
InChIInChI=1S/C17H18N2O3S/c1-3-5-16(20)19-17-18-13(10-23-17)15-9-11-8-12(21-4-2)6-7-14(11)22-15/h6-10H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyJGCLKZPIPGAJHO-UHFFFAOYSA-N
XLogP4.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 44916393
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 44916333
4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916270
5-bromo-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 44916278
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1,3-benzoxazole-2-carboxamide
CID 44916427
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 44916350
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 44916281
N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 44916210
N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 25470108
(E)-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 44916274
4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916209
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 17404839

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide (CID 44916334) is N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2cc3cc(OCC)ccc3o2)cs1.
What is the InChIKey of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is JGCLKZPIPGAJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-5-16(20)19-17-18-13(10-23-17)15-9-11-8-12(21-4-2)6-7-14(11)22-15/h6-10H,3-5H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 330.41 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 44916334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).