N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide

C21H19NO2S — CID 855907

IUPACN-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide
SMILESCc1ccc(C(=O)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1
InChIInChI=1S/C21H19NO2S/c1-13-9-11-16(12-10-13)19(23)18-14(2)15(3)25-21(18)22-20(24)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,22,24)
InChIKeyFCIITABMFYTNAB-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.16
Rot. Bonds4

About N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide

N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide (PubChem CID 855907) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide
PubChem CID855907
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide
SMILESCc1ccc(C(=O)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1
InChIInChI=1S/C21H19NO2S/c1-13-9-11-16(12-10-13)19(23)18-14(2)15(3)25-21(18)22-20(24)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,22,24)
InChIKeyFCIITABMFYTNAB-UHFFFAOYSA-N
XLogP5.16
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 ≤ 55.16
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-methylbenzoyl)thiophen-2-yl]benzamide?
The IUPAC name of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide (CID 855907) is N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide?
The canonical SMILES for N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide is Cc1ccc(C(=O)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1.
What is the InChIKey of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide?
The InChIKey is FCIITABMFYTNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-13-9-11-16(12-10-13)19(23)18-14(2)15(3)25-21(18)22-20(24)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,22,24).
What are the key properties of N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide?
N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]benzamide has a molecular weight of 349.46 g/mol, XLogP of 5.16, 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-methylbenzoyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 855907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).