2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide

C20H15NO4S — CID 123141408

IUPAC2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide
SMILESCOc1cccc(C(=O)c2cc(CC(=O)N=O)c(-c3ccccc3)s2)c1
InChIInChI=1S/C20H15NO4S/c1-25-16-9-5-8-14(10-16)19(23)17-11-15(12-18(22)21-24)20(26-17)13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyVZRFVIGLVAQPPT-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.49
Rot. Bonds6

About 2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide

2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide (PubChem CID 123141408) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide.

Molecular Properties

Compound Name2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide
PubChem CID123141408
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide
SMILESCOc1cccc(C(=O)c2cc(CC(=O)N=O)c(-c3ccccc3)s2)c1
InChIInChI=1S/C20H15NO4S/c1-25-16-9-5-8-14(10-16)19(23)17-11-15(12-18(22)21-24)20(26-17)13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyVZRFVIGLVAQPPT-UHFFFAOYSA-N
XLogP4.49
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
ethyl 2-[5-(3-chlorobenzoyl)-2-(4-chlorophenyl)thiophen-3-yl]acetate
CID 73052443
(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone
CID 114962447
(3-methoxyphenyl)-(3-phenylnaphthalen-1-yl)methanone
CID 44542422
methyl 2-[2-[5-[5-benzoyl-3-(2-methoxy-2-oxoethyl)thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetate
CID 71230631
(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782410
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one
CID 166522312
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide?
The IUPAC name of 2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide (CID 123141408) is 2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide.
What is the SMILES notation for 2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide?
The canonical SMILES for 2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide is COc1cccc(C(=O)c2cc(CC(=O)N=O)c(-c3ccccc3)s2)c1.
What is the InChIKey of 2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide?
The InChIKey is VZRFVIGLVAQPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c1-25-16-9-5-8-14(10-16)19(23)17-11-15(12-18(22)21-24)20(26-17)13-6-3-2-4-7-13/h2-11H,12H2,1H3.
What are the key properties of 2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide?
2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide has a molecular weight of 365.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxybenzoyl)-2-phenylthiophen-3-yl]-N-oxoacetamide is sourced from PubChem (CID 123141408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).