2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide

C15H18N2OS — CID 65241605

IUPAC2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
SMILESCc1cc(CNC(=O)c2c(C)cccc2N)sc1C
InChIInChI=1S/C15H18N2OS/c1-9-5-4-6-13(16)14(9)15(18)17-8-12-7-10(2)11(3)19-12/h4-7H,8,16H2,1-3H3,(H,17,18)
InChIKeyMLIBZOJRJUAQHN-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.19
Rot. Bonds3

About 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide

2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide (PubChem CID 65241605) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
PubChem CID65241605
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
SMILESCc1cc(CNC(=O)c2c(C)cccc2N)sc1C
InChIInChI=1S/C15H18N2OS/c1-9-5-4-6-13(16)14(9)15(18)17-8-12-7-10(2)11(3)19-12/h4-7H,8,16H2,1-3H3,(H,17,18)
InChIKeyMLIBZOJRJUAQHN-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.19
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-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 65244086
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2,4-diamino-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65241205
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
CID 107229451
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
CID 16781523
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
2-amino-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368567
3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107273159

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide (CID 65241605) is 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide is Cc1cc(CNC(=O)c2c(C)cccc2N)sc1C.
What is the InChIKey of 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide?
The InChIKey is MLIBZOJRJUAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9-5-4-6-13(16)14(9)15(18)17-8-12-7-10(2)11(3)19-12/h4-7H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide?
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide has a molecular weight of 274.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide is sourced from PubChem (CID 65241605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).