N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide

C13H14N2OS — CID 64894662

IUPACN-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1CN
InChIInChI=1S/C13H14N2OS/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyLJESEWMAAYUFOI-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.77
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide

N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 64894662) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID64894662
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1CN
InChIInChI=1S/C13H14N2OS/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyLJESEWMAAYUFOI-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
CID 86815311
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 43175560
3-amino-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 61091897
N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide
CID 112770069
N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
CID 26515720
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide (CID 64894662) is N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is LJESEWMAAYUFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide?
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 64894662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).