N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide

C15H16N2O4S — CID 1077885

IUPACN-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)c(OC)cc1NC(C)=O
InChIInChI=1S/C15H16N2O4S/c1-9(18)16-10-7-13(21-3)11(8-12(10)20-2)17-15(19)14-5-4-6-22-14/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyUYQBBLNJOQEBAE-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.98
Rot. Bonds5

About N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide

N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide (PubChem CID 1077885) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide
PubChem CID1077885
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)c(OC)cc1NC(C)=O
InChIInChI=1S/C15H16N2O4S/c1-9(18)16-10-7-13(21-3)11(8-12(10)20-2)17-15(19)14-5-4-6-22-14/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyUYQBBLNJOQEBAE-UHFFFAOYSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide (CID 1077885) is N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide is COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is UYQBBLNJOQEBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9(18)16-10-7-13(21-3)11(8-12(10)20-2)17-15(19)14-5-4-6-22-14/h4-8H,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide?
N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2,5-dimethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1077885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).