N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide

C16H19NO3S — CID 1246974

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(C)s2)cc1OC
InChIInChI=1S/C16H19NO3S/c1-11-4-7-15(21-11)16(18)17-9-8-12-5-6-13(19-2)14(10-12)20-3/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyGZCOUEWCCGNMLO-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.05
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 1246974) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID1246974
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(C)s2)cc1OC
InChIInChI=1S/C16H19NO3S/c1-11-4-7-15(21-11)16(18)17-9-8-12-5-6-13(19-2)14(10-12)20-3/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyGZCOUEWCCGNMLO-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.05
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]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide (CID 1246974) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(C)s2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is GZCOUEWCCGNMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-4-7-15(21-11)16(18)17-9-8-12-5-6-13(19-2)14(10-12)20-3/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.05, 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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 1246974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).