2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide

C19H23ClN2O3S — CID 141366986

IUPAC2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1cc(-c2nc(NC(=O)CCl)sc2C)cc2c1OC(C)(C)C2
InChIInChI=1S/C19H23ClN2O3S/c1-5-6-24-14-8-12(7-13-9-19(3,4)25-17(13)14)16-11(2)26-18(22-16)21-15(23)10-20/h7-8H,5-6,9-10H2,1-4H3,(H,21,22,23)
InChIKeyQPFHXFOLFUYCLK-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.80
Rot. Bonds6

About 2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 141366986) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID141366986
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1cc(-c2nc(NC(=O)CCl)sc2C)cc2c1OC(C)(C)C2
InChIInChI=1S/C19H23ClN2O3S/c1-5-6-24-14-8-12(7-13-9-19(3,4)25-17(13)14)16-11(2)26-18(22-16)21-15(23)10-20/h7-8H,5-6,9-10H2,1-4H3,(H,21,22,23)
InChIKeyQPFHXFOLFUYCLK-UHFFFAOYSA-N
XLogP4.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide
CID 141367023
N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 141363051
N-(4-chlorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 141294368
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774673
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 55515416
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen
CID 153359581
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119681848
2-(2-ethoxyphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 16644162
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 141366986) is 2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide is CCCOc1cc(-c2nc(NC(=O)CCl)sc2C)cc2c1OC(C)(C)C2.
What is the InChIKey of 2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is QPFHXFOLFUYCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-5-6-24-14-8-12(7-13-9-19(3,4)25-17(13)14)16-11(2)26-18(22-16)21-15(23)10-20/h7-8H,5-6,9-10H2,1-4H3,(H,21,22,23).
What are the key properties of 2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 394.92 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 141366986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).