N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide

C16H20N2OS — CID 27228669

IUPACN-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C16H20N2OS/c1-5-14-11(2)10-15(20-14)16(19)17-12-6-8-13(9-7-12)18(3)4/h6-10H,5H2,1-4H3,(H,17,19)
InChIKeyKZUGMNLSNLDIRR-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.94
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 27228669) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID27228669
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C16H20N2OS/c1-5-14-11(2)10-15(20-14)16(19)17-12-6-8-13(9-7-12)18(3)4/h6-10H,5H2,1-4H3,(H,17,19)
InChIKeyKZUGMNLSNLDIRR-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43353089
5-ethyl-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9479381
5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide
CID 7925009
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 87005827
N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
CID 110861965
N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494324
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110861936
5-ethyl-4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]thiophene-2-carboxamide
CID 55491048
N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55799419

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 27228669) is N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2ccc(N(C)C)cc2)cc1C.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is KZUGMNLSNLDIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-5-14-11(2)10-15(20-14)16(19)17-12-6-8-13(9-7-12)18(3)4/h6-10H,5H2,1-4H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 27228669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).