2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide

C17H22N2OS — CID 82056715

IUPAC2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCc1ccc(-c2c(C)sc(N)c2C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C17H22N2OS/c1-9(2)19-17(20)15-14(12(5)21-16(15)18)13-7-6-10(3)8-11(13)4/h6-9H,18H2,1-5H3,(H,19,20)
InChIKeyHZXWNKVAJIKOLO-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.06
Rot. Bonds3

About 2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide

2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 82056715) 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-methyl-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide
PubChem CID82056715
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCc1ccc(-c2c(C)sc(N)c2C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C17H22N2OS/c1-9(2)19-17(20)15-14(12(5)21-16(15)18)13-7-6-10(3)8-11(13)4/h6-9H,18H2,1-5H3,(H,19,20)
InChIKeyHZXWNKVAJIKOLO-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
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-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82056734
ethyl 4-(2,4-dimethylphenyl)-2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 3366736
2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile
CID 82028197
2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide
CID 82056744
2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 114830947
ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
CID 82366459
1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide
CID 156715827
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366303
methyl 2-amino-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 694717
1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
CID 112557564
methyl 2-amino-5-[2-(2,4-dimethylphenyl)acetyl]-4-methylthiophene-3-carboxylate
CID 167488992

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide (CID 82056715) is 2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide is Cc1ccc(-c2c(C)sc(N)c2C(=O)NC(C)C)c(C)c1.
What is the InChIKey of 2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is HZXWNKVAJIKOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-9(2)19-17(20)15-14(12(5)21-16(15)18)13-7-6-10(3)8-11(13)4/h6-9H,18H2,1-5H3,(H,19,20).
What are the key properties of 2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide?
2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 82056715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).