N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide

C21H19NO2S — CID 10970141

IUPACN-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19NO2S/c1-13-14(2)25-21(22-15(3)23)19(13)20(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,22,23)
InChIKeyMXLZGGMCBMZZSJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.22
Rot. Bonds4

About N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide

N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide (PubChem CID 10970141) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide
PubChem CID10970141
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19NO2S/c1-13-14(2)25-21(22-15(3)23)19(13)20(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,22,23)
InChIKeyMXLZGGMCBMZZSJ-UHFFFAOYSA-N
XLogP5.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide?
The IUPAC name of N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide (CID 10970141) is N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide?
The canonical SMILES for N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide is CC(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide?
The InChIKey is MXLZGGMCBMZZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-13-14(2)25-21(22-15(3)23)19(13)20(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,22,23).
What are the key properties of N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide?
N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 10970141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).