5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide

C15H17ClN2OS — CID 106033391

IUPAC5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCc2ccc(Cl)s2)cc1N
InChIInChI=1S/C15H17ClN2OS/c1-9-7-10(2)13(17)8-12(9)15(19)18-6-5-11-3-4-14(16)20-11/h3-4,7-8H,5-6,17H2,1-2H3,(H,18,19)
InChIKeyYUDJXEULYKVEJM-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.57
Rot. Bonds4

About 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide

5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide (PubChem CID 106033391) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
PubChem CID106033391
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCc2ccc(Cl)s2)cc1N
InChIInChI=1S/C15H17ClN2OS/c1-9-7-10(2)13(17)8-12(9)15(19)18-6-5-11-3-4-14(16)20-11/h3-4,7-8H,5-6,17H2,1-2H3,(H,18,19)
InChIKeyYUDJXEULYKVEJM-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide
CID 103863673
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
CID 106033258
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide
CID 106033320
2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 103882523
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 106033230
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106042012

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide (CID 106033391) is 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCCc2ccc(Cl)s2)cc1N.
What is the InChIKey of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide?
The InChIKey is YUDJXEULYKVEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-9-7-10(2)13(17)8-12(9)15(19)18-6-5-11-3-4-14(16)20-11/h3-4,7-8H,5-6,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide?
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide has a molecular weight of 308.83 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 106033391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).