3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide

C21H19NO5S — CID 992725

IUPAC3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)c3cccs3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H19NO5S/c1-25-16-11-14(12-17(26-2)20(16)27-3)21(24)22-15-8-6-13(7-9-15)19(23)18-5-4-10-28-18/h4-12H,1-3H3,(H,22,24)
InChIKeyOENOHGHVLWIBMT-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.26
Rot. Bonds7

About 3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide

3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide (PubChem CID 992725) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide
PubChem CID992725
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC Name3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)c3cccs3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H19NO5S/c1-25-16-11-14(12-17(26-2)20(16)27-3)21(24)22-15-8-6-13(7-9-15)19(23)18-5-4-10-28-18/h4-12H,1-3H3,(H,22,24)
InChIKeyOENOHGHVLWIBMT-UHFFFAOYSA-N
XLogP4.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide (CID 992725) is 3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(C(=O)c3cccs3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide?
The InChIKey is OENOHGHVLWIBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c1-25-16-11-14(12-17(26-2)20(16)27-3)21(24)22-15-8-6-13(7-9-15)19(23)18-5-4-10-28-18/h4-12H,1-3H3,(H,22,24).
What are the key properties of 3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide has a molecular weight of 397.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(thiophene-2-carbonyl)phenyl]benzamide is sourced from PubChem (CID 992725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).