N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide

C16H19NOS — CID 2933240

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C16H19NOS/c1-10-5-7-14(9-11(10)2)13(4)17-16(18)15-8-6-12(3)19-15/h5-9,13H,1-4H3,(H,17,18)
InChIKeyKSNMIBLZOXNHHB-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.16
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide

N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 2933240) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID2933240
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C16H19NOS/c1-10-5-7-14(9-11(10)2)13(4)17-16(18)15-8-6-12(3)19-15/h5-9,13H,1-4H3,(H,17,18)
InChIKeyKSNMIBLZOXNHHB-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.16
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]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide (CID 2933240) is N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)s1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is KSNMIBLZOXNHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-10-5-7-14(9-11(10)2)13(4)17-16(18)15-8-6-12(3)19-15/h5-9,13H,1-4H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 4.16, 3 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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 2933240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).