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

C14H16N2OS — CID 110861965

IUPACN-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C14H16N2OS/c1-10-8-13(18-9-10)14(17)15-11-4-6-12(7-5-11)16(2)3/h4-9H,1-3H3,(H,15,17)
InChIKeyZHHCCGVYVYZGTH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.37
Rot. Bonds3

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

N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide (PubChem CID 110861965) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
PubChem CID110861965
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C14H16N2OS/c1-10-8-13(18-9-10)14(17)15-11-4-6-12(7-5-11)16(2)3/h4-9H,1-3H3,(H,15,17)
InChIKeyZHHCCGVYVYZGTH-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.37
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

N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 110861967
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110861936
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 27228669
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide
CID 71792316
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219981
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide (CID 110861965) is N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide?
The InChIKey is ZHHCCGVYVYZGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-8-13(18-9-10)14(17)15-11-4-6-12(7-5-11)16(2)3/h4-9H,1-3H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide?
N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 110861965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).