N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide

C21H19NO3S — CID 90612901

IUPACN-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C21H19NO3S/c1-25-17-9-7-15(8-10-17)13-20(23)22-14-18-11-12-19(26-18)21(24)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyGAIBRVDYMCGPRB-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.85
Rot. Bonds7

About N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide

N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 90612901) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID90612901
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C21H19NO3S/c1-25-17-9-7-15(8-10-17)13-20(23)22-14-18-11-12-19(26-18)21(24)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyGAIBRVDYMCGPRB-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-benzoylthiophen-2-yl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90612947
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 32775638
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90612463
2-(4-phenylphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131732
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156
N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
CID 90612882
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
5-[[[3-(4-methoxyphenyl)-2-methylpropanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110463
N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 90612940

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide (CID 90612901) is N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is GAIBRVDYMCGPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-25-17-9-7-15(8-10-17)13-20(23)22-14-18-11-12-19(26-18)21(24)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,23).
What are the key properties of N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide?
N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 365.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 90612901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).