N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide

C15H18N2OS — CID 62057931

IUPACN-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)c(C)s2)cc1N
InChIInChI=1S/C15H18N2OS/c1-4-11-5-6-12(8-13(11)16)17-15(18)14-7-9(2)10(3)19-14/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyGCVWASQFQQZOEA-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.76
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide

N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 62057931) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID62057931
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)c(C)s2)cc1N
InChIInChI=1S/C15H18N2OS/c1-4-11-5-6-12(8-13(11)16)17-15(18)14-7-9(2)10(3)19-14/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyGCVWASQFQQZOEA-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494324
N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 63333055
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
4-amino-N-(3-chloro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61091195
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 115375794
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
CID 65239175

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide (CID 62057931) is N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide is CCc1ccc(NC(=O)c2cc(C)c(C)s2)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is GCVWASQFQQZOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-4-11-5-6-12(8-13(11)16)17-15(18)14-7-9(2)10(3)19-14/h5-8H,4,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 62057931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).