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

C17H22N2OS — CID 82056744

IUPAC2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide
SMILESCCc1sc(N)c(C(=O)N(C)C)c1-c1ccc(C)cc1C
InChIInChI=1S/C17H22N2OS/c1-6-13-14(12-8-7-10(2)9-11(12)3)15(16(18)21-13)17(20)19(4)5/h7-9H,6,18H2,1-5H3
InChIKeyHVOMMTZSZCGHRL-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.88
Rot. Bonds3

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

2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide (PubChem CID 82056744) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide
PubChem CID82056744
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide
SMILESCCc1sc(N)c(C(=O)N(C)C)c1-c1ccc(C)cc1C
InChIInChI=1S/C17H22N2OS/c1-6-13-14(12-8-7-10(2)9-11(12)3)15(16(18)21-13)17(20)19(4)5/h7-9H,6,18H2,1-5H3
InChIKeyHVOMMTZSZCGHRL-UHFFFAOYSA-N
XLogP3.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 82056715
ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
CID 82366459
2-amino-N,5-diethyl-4-(2-methoxyphenyl)thiophene-3-carboxamide
CID 82056852
2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile
CID 82028197
2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide
CID 98646581
ethyl 4-(2,4-dimethylphenyl)-2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 3366736
3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366303
methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899109
2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 82028214
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
2-(2,4-dimethylphenyl)-5-ethylthiophene
CID 167264133
5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82082347

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide (CID 82056744) is 2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide is CCc1sc(N)c(C(=O)N(C)C)c1-c1ccc(C)cc1C.
What is the InChIKey of 2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide?
The InChIKey is HVOMMTZSZCGHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-6-13-14(12-8-7-10(2)9-11(12)3)15(16(18)21-13)17(20)19(4)5/h7-9H,6,18H2,1-5H3.
What are the key properties of 2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide?
2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 82056744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).