4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide

C15H17ClN2OS — CID 114480030

IUPAC4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-9-7-11(15(17)19)3-4-12(9)8-18-10(2)13-5-6-14(16)20-13/h3-7,10,18H,8H2,1-2H3,(H2,17,19)
InChIKeyJHNJGZBCQSLCQE-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.66
Rot. Bonds5

About 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide

4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide (PubChem CID 114480030) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide
PubChem CID114480030
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-9-7-11(15(17)19)3-4-12(9)8-18-10(2)13-5-6-14(16)20-13/h3-7,10,18H,8H2,1-2H3,(H2,17,19)
InChIKeyJHNJGZBCQSLCQE-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 43664726
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide
CID 61474435
3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930123
3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide
CID 114480389
4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
CID 114480398
3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide
CID 114480039
3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
CID 43735355
3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
CID 114480189
3-methyl-4-[(4-methylsulfinylbutan-2-ylamino)methyl]benzamide
CID 114480829

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide (CID 114480030) is 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNC(C)c1ccc(Cl)s1.
What is the InChIKey of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide?
The InChIKey is JHNJGZBCQSLCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-9-7-11(15(17)19)3-4-12(9)8-18-10(2)13-5-6-14(16)20-13/h3-7,10,18H,8H2,1-2H3,(H2,17,19).
What are the key properties of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide?
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide has a molecular weight of 308.83 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114480030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).