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

C15H18N2OS — CID 114480189

IUPAC3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
SMILESCc1ccc(CNCc2ccc(C(N)=O)cc2C)s1
InChIInChI=1S/C15H18N2OS/c1-10-7-12(15(16)18)4-5-13(10)8-17-9-14-6-3-11(2)19-14/h3-7,17H,8-9H2,1-2H3,(H2,16,18)
InChIKeyPCERBJCPGAKYDS-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.75
Rot. Bonds5

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

3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide (PubChem CID 114480189) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
PubChem CID114480189
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
SMILESCc1ccc(CNCc2ccc(C(N)=O)cc2C)s1
InChIInChI=1S/C15H18N2OS/c1-10-7-12(15(16)18)4-5-13(10)8-17-9-14-6-3-11(2)19-14/h3-7,17H,8-9H2,1-2H3,(H2,16,18)
InChIKeyPCERBJCPGAKYDS-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide
CID 106417982
3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide
CID 106010810
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482916
1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60664383
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
CID 107317528
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide?
The IUPAC name of 3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide (CID 114480189) is 3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide?
The canonical SMILES for 3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide is Cc1ccc(CNCc2ccc(C(N)=O)cc2C)s1.
What is the InChIKey of 3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide?
The InChIKey is PCERBJCPGAKYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-7-12(15(16)18)4-5-13(10)8-17-9-14-6-3-11(2)19-14/h3-7,17H,8-9H2,1-2H3,(H2,16,18).
What are the key properties of 3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide?
3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide has a molecular weight of 274.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 114480189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).