5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide

C16H20N2OS — CID 79613858

IUPAC5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide
SMILESCc1ccc(C(C)NCc2cc(C(N)=O)cs2)c(C)c1
InChIInChI=1S/C16H20N2OS/c1-10-4-5-15(11(2)6-10)12(3)18-8-14-7-13(9-20-14)16(17)19/h4-7,9,12,18H,8H2,1-3H3,(H2,17,19)
InChIKeyACXJHMWQHAJFJK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.31
Rot. Bonds5

About 5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide

5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide (PubChem CID 79613858) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide
PubChem CID79613858
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide
SMILESCc1ccc(C(C)NCc2cc(C(N)=O)cs2)c(C)c1
InChIInChI=1S/C16H20N2OS/c1-10-4-5-15(11(2)6-10)12(3)18-8-14-7-13(9-20-14)16(17)19/h4-7,9,12,18H,8H2,1-3H3,(H2,17,19)
InChIKeyACXJHMWQHAJFJK-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 81360413
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613995
5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613665
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613364
5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 96526651
5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614281
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
5-[(heptan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79614425
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide
CID 79614506

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide (CID 79613858) is 5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide is Cc1ccc(C(C)NCc2cc(C(N)=O)cs2)c(C)c1.
What is the InChIKey of 5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide?
The InChIKey is ACXJHMWQHAJFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-4-5-15(11(2)6-10)12(3)18-8-14-7-13(9-20-14)16(17)19/h4-7,9,12,18H,8H2,1-3H3,(H2,17,19).
What are the key properties of 5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide?
5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).