3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide

C15H17ClN2OS — CID 106010810

IUPAC3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide
SMILESCCc1ccc(CNCc2ccc(C(N)=O)cc2Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-2-12-5-6-13(20-12)9-18-8-11-4-3-10(15(17)19)7-14(11)16/h3-7,18H,2,8-9H2,1H3,(H2,17,19)
InChIKeyWZPRTEYRNZOLGD-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.35
Rot. Bonds6

About 3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide

3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide (PubChem CID 106010810) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide
PubChem CID106010810
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide
SMILESCCc1ccc(CNCc2ccc(C(N)=O)cc2Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-2-12-5-6-13(20-12)9-18-8-11-4-3-10(15(17)19)7-14(11)16/h3-7,18H,2,8-9H2,1H3,(H2,17,19)
InChIKeyWZPRTEYRNZOLGD-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
4-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-3-chlorobenzamide
CID 106046852
3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
CID 114480189
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
3-chloro-4-[(3-propoxypropylamino)methyl]benzamide
CID 102664947
methyl 3-bromo-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzoate
CID 106004345
4-[(but-3-ynylamino)methyl]-3-chlorobenzamide
CID 102664571
4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
CID 102665063
3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide
CID 102665048
3-chloro-4-[(3-methylsulfinylpropylamino)methyl]benzamide
CID 102665106
3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide
CID 102664463
3-chloro-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide
CID 102664407

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide (CID 106010810) is 3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide is CCc1ccc(CNCc2ccc(C(N)=O)cc2Cl)s1.
What is the InChIKey of 3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide?
The InChIKey is WZPRTEYRNZOLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-12-5-6-13(20-12)9-18-8-11-4-3-10(15(17)19)7-14(11)16/h3-7,18H,2,8-9H2,1H3,(H2,17,19).
What are the key properties of 3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide?
3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide has a molecular weight of 308.83 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 106010810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).