N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide

C13H13NO3S — CID 670502

IUPACN-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccs2)cc1OC
InChIInChI=1S/C13H13NO3S/c1-16-10-6-5-9(8-11(10)17-2)14-13(15)12-4-3-7-18-12/h3-8H,1-2H3,(H,14,15)
InChIKeyPYTJKDRTRXGZRT-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.02
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide

N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide (PubChem CID 670502) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
PubChem CID670502
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC NameN-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccs2)cc1OC
InChIInChI=1S/C13H13NO3S/c1-16-10-6-5-9(8-11(10)17-2)14-13(15)12-4-3-7-18-12/h3-8H,1-2H3,(H,14,15)
InChIKeyPYTJKDRTRXGZRT-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide (CID 670502) is N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2cccs2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is PYTJKDRTRXGZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-16-10-6-5-9(8-11(10)17-2)14-13(15)12-4-3-7-18-12/h3-8H,1-2H3,(H,14,15).
What are the key properties of N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide?
N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 670502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).