N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide

C17H21NO3S — CID 5013707

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccs2)cc1OCC
InChIInChI=1S/C17H21NO3S/c1-4-20-14-9-8-13(11-15(14)21-5-2)12(3)18-17(19)16-7-6-10-22-16/h6-12H,4-5H2,1-3H3,(H,18,19)
InChIKeyZNWQKAZDQWIWQE-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.04
Rot. Bonds7

About N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide

N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 5013707) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID5013707
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccs2)cc1OCC
InChIInChI=1S/C17H21NO3S/c1-4-20-14-9-8-13(11-15(14)21-5-2)12(3)18-17(19)16-7-6-10-22-16/h6-12H,4-5H2,1-3H3,(H,18,19)
InChIKeyZNWQKAZDQWIWQE-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide (CID 5013707) is N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide is CCOc1ccc(C(C)NC(=O)c2cccs2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is ZNWQKAZDQWIWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-20-14-9-8-13(11-15(14)21-5-2)12(3)18-17(19)16-7-6-10-22-16/h6-12H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 5013707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).