N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide

C15H17NO3S — CID 2059988

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C15H17NO3S/c1-18-12-6-5-11(10-13(12)19-2)7-8-16-15(17)14-4-3-9-20-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyGTGJRYCDRSYMBB-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.74
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 2059988) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID2059988
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C15H17NO3S/c1-18-12-6-5-11(10-13(12)19-2)7-8-16-15(17)14-4-3-9-20-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyGTGJRYCDRSYMBB-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide (CID 2059988) is N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccc(CCNC(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is GTGJRYCDRSYMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-18-12-6-5-11(10-13(12)19-2)7-8-16-15(17)14-4-3-9-20-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2059988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).