N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide

C16H19NOS — CID 2971490

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(C(C)NC(=O)Cc2cccs2)cc1C
InChIInChI=1S/C16H19NOS/c1-11-6-7-14(9-12(11)2)13(3)17-16(18)10-15-5-4-8-19-15/h4-9,13H,10H2,1-3H3,(H,17,18)
InChIKeyDNUIWUTXGKSBEY-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.78
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 2971490) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID2971490
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(C(C)NC(=O)Cc2cccs2)cc1C
InChIInChI=1S/C16H19NOS/c1-11-6-7-14(9-12(11)2)13(3)17-16(18)10-15-5-4-8-19-15/h4-9,13H,10H2,1-3H3,(H,17,18)
InChIKeyDNUIWUTXGKSBEY-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 2971490) is N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide is Cc1ccc(C(C)NC(=O)Cc2cccs2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is DNUIWUTXGKSBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11-6-7-14(9-12(11)2)13(3)17-16(18)10-15-5-4-8-19-15/h4-9,13H,10H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 273.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2971490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).