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

C16H19NOS — CID 17327781

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2csc(C)c2)c(C)c1
InChIInChI=1S/C16H19NOS/c1-10-5-6-15(11(2)7-10)13(4)17-16(18)14-8-12(3)19-9-14/h5-9,13H,1-4H3,(H,17,18)
InChIKeyWACILDYZJGNORA-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.16
Rot. Bonds3

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

N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide (PubChem CID 17327781) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide
PubChem CID17327781
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2csc(C)c2)c(C)c1
InChIInChI=1S/C16H19NOS/c1-10-5-6-15(11(2)7-10)13(4)17-16(18)14-8-12(3)19-9-14/h5-9,13H,1-4H3,(H,17,18)
InChIKeyWACILDYZJGNORA-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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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17327516
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 2807075
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78948546
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 39854513
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide (CID 17327781) is N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide is Cc1ccc(C(C)NC(=O)c2csc(C)c2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide?
The InChIKey is WACILDYZJGNORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-10-5-6-15(11(2)7-10)13(4)17-16(18)14-8-12(3)19-9-14/h5-9,13H,1-4H3,(H,17,18).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide?
N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-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-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 17327781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).