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

C18H20Cl2N2O3S — CID 141367023

IUPAC2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1cc(-c2csc(NC(=O)C(Cl)Cl)n2)cc2c1OC(C)(C)C2
InChIInChI=1S/C18H20Cl2N2O3S/c1-4-5-24-13-7-10(6-11-8-18(2,3)25-14(11)13)12-9-26-17(21-12)22-16(23)15(19)20/h6-7,9,15H,4-5,8H2,1-3H3,(H,21,22,23)
InChIKeyBUKKAUXENBWVNO-UHFFFAOYSA-N
MW415.34 g/mol
LogP5.05
Rot. Bonds6

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

2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 141367023) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID141367023
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1cc(-c2csc(NC(=O)C(Cl)Cl)n2)cc2c1OC(C)(C)C2
InChIInChI=1S/C18H20Cl2N2O3S/c1-4-5-24-13-7-10(6-11-8-18(2,3)25-14(11)13)12-9-26-17(21-12)22-16(23)15(19)20/h6-7,9,15H,4-5,8H2,1-3H3,(H,21,22,23)
InChIKeyBUKKAUXENBWVNO-UHFFFAOYSA-N
XLogP5.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.34
LogP ≤ 55.05
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-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 141366986
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918195
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
7-methoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888378
5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 39768846
2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550455
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 19194806
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
2-bromo-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856474

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide (CID 141367023) is 2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide is CCCOc1cc(-c2csc(NC(=O)C(Cl)Cl)n2)cc2c1OC(C)(C)C2.
What is the InChIKey of 2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BUKKAUXENBWVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-4-5-24-13-7-10(6-11-8-18(2,3)25-14(11)13)12-9-26-17(21-12)22-16(23)15(19)20/h6-7,9,15H,4-5,8H2,1-3H3,(H,21,22,23).
What are the key properties of 2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide?
2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 415.34 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 141367023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).