N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide

C15H18N2OS — CID 79803210

IUPACN-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide
SMILESCCN(Cc1ccccc1N)C(=O)c1cscc1C
InChIInChI=1S/C15H18N2OS/c1-3-17(8-12-6-4-5-7-14(12)16)15(18)13-10-19-9-11(13)2/h4-7,9-10H,3,8,16H2,1-2H3
InChIKeyCVEUVGYPMAWOBD-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.30
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide

N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide (PubChem CID 79803210) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide
PubChem CID79803210
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide
SMILESCCN(Cc1ccccc1N)C(=O)c1cscc1C
InChIInChI=1S/C15H18N2OS/c1-3-17(8-12-6-4-5-7-14(12)16)15(18)13-10-19-9-11(13)2/h4-7,9-10H,3,8,16H2,1-2H3
InChIKeyCVEUVGYPMAWOBD-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 43459243
N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
CID 43459183
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
N-ethyl-2-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 112817397
N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide
CID 43459852
N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
CID 62589527
N-[(2-aminophenyl)methyl]-N-ethylheptanamide
CID 114751955
N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049222
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 43461291
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide (CID 79803210) is N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide is CCN(Cc1ccccc1N)C(=O)c1cscc1C.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide?
The InChIKey is CVEUVGYPMAWOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-17(8-12-6-4-5-7-14(12)16)15(18)13-10-19-9-11(13)2/h4-7,9-10H,3,8,16H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide?
N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79803210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).