N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide

C16H19NOS — CID 17326902

IUPACN-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H19NOS/c1-4-13-6-8-14(9-7-13)12(3)17-16(18)15-10-5-11(2)19-15/h5-10,12H,4H2,1-3H3,(H,17,18)
InChIKeyRNUNDFRPLPXONB-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.11
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide

N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 17326902) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID17326902
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H19NOS/c1-4-13-6-8-14(9-7-13)12(3)17-16(18)15-10-5-11(2)19-15/h5-10,12H,4H2,1-3H3,(H,17,18)
InChIKeyRNUNDFRPLPXONB-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140208
5-methyl-N-[(1R)-1-pyridin-4-ylethyl]thiophene-2-carboxamide
CID 34759113
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41096263
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide
CID 64997383
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 131159537

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide (CID 17326902) is N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide is CCc1ccc(C(C)NC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is RNUNDFRPLPXONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-4-13-6-8-14(9-7-13)12(3)17-16(18)15-10-5-11(2)19-15/h5-10,12H,4H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 17326902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).