4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide

C15H18N2OS — CID 65239175

IUPAC4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
SMILESCNCc1cccc(NC(=O)c2cc(C)c(C)s2)c1
InChIInChI=1S/C15H18N2OS/c1-10-7-14(19-11(10)2)15(18)17-13-6-4-5-12(8-13)9-16-3/h4-8,16H,9H2,1-3H3,(H,17,18)
InChIKeyMSJRHGSFJRSTIJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.34
Rot. Bonds4

About 4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide

4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide (PubChem CID 65239175) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
PubChem CID65239175
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
SMILESCNCc1cccc(NC(=O)c2cc(C)c(C)s2)c1
InChIInChI=1S/C15H18N2OS/c1-10-7-14(19-11(10)2)15(18)17-13-6-4-5-12(8-13)9-16-3/h4-8,16H,9H2,1-3H3,(H,17,18)
InChIKeyMSJRHGSFJRSTIJ-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601854
N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494324
2,4-dimethyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119441008
2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 71936304
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
3-methyl-N-[3-(methylaminomethyl)phenyl]pyridine-2-carboxamide
CID 55060469
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
N-[[3-(chloromethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 113272815

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide (CID 65239175) is 4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide is CNCc1cccc(NC(=O)c2cc(C)c(C)s2)c1.
What is the InChIKey of 4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is MSJRHGSFJRSTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-7-14(19-11(10)2)15(18)17-13-6-4-5-12(8-13)9-16-3/h4-8,16H,9H2,1-3H3,(H,17,18).
What are the key properties of 4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide?
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 65239175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).