N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide

C15H17NOS — CID 6468570

IUPACN-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cccs2)c1
InChIInChI=1S/C15H17NOS/c1-10-6-7-11(2)13(9-10)12(3)16-15(17)14-5-4-8-18-14/h4-9,12H,1-3H3,(H,16,17)
InChIKeyHYUKTUWNGVENMJ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.86
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide

N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 6468570) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID6468570
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cccs2)c1
InChIInChI=1S/C15H17NOS/c1-10-6-7-11(2)13(9-10)12(3)16-15(17)14-5-4-8-18-14/h4-9,12H,1-3H3,(H,16,17)
InChIKeyHYUKTUWNGVENMJ-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-(2,5-dimethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46564443
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylthiophene-2-carboxamide
CID 79987054
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 47219608
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 97194203
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26082625
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327144
N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7025718
N-[(2,5-dimethylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866335

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide (CID 6468570) is N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide is Cc1ccc(C)c(C(C)NC(=O)c2cccs2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is HYUKTUWNGVENMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-6-7-11(2)13(9-10)12(3)16-15(17)14-5-4-8-18-14/h4-9,12H,1-3H3,(H,16,17).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide?
N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 6468570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).