2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide

C17H22N2OS — CID 82056734

IUPAC2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
SMILESCCc1sc(N)c(C(=O)NC(C)C)c1-c1ccc(C)cc1
InChIInChI=1S/C17H22N2OS/c1-5-13-14(12-8-6-11(4)7-9-12)15(16(18)21-13)17(20)19-10(2)3/h6-10H,5,18H2,1-4H3,(H,19,20)
InChIKeyBQCRLMFYFWJKDP-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.01
Rot. Bonds4

About 2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide

2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 82056734) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
PubChem CID82056734
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
SMILESCCc1sc(N)c(C(=O)NC(C)C)c1-c1ccc(C)cc1
InChIInChI=1S/C17H22N2OS/c1-5-13-14(12-8-6-11(4)7-9-12)15(16(18)21-13)17(20)19-10(2)3/h6-10H,5,18H2,1-4H3,(H,19,20)
InChIKeyBQCRLMFYFWJKDP-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.01
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

ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate
CID 39079161
2-methylpropyl 2-amino-5-ethyl-4-phenylthiophene-3-carboxylate
CID 82056723
2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 82056715
2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 114830947
methyl 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 39079184
ethyl 2-amino-5-[[5-amino-3-(4-chlorophenyl)-4-ethoxycarbonylthiophen-2-yl]methyl]-4-(4-chlorophenyl)thiophene-3-carboxylate
CID 167938602
2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 82028214
methyl 2-amino-5-(diethylaminomethyl)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
CID 39079592
2-amino-N,5-diethyl-4-(2-methoxyphenyl)thiophene-3-carboxamide
CID 82056852
5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide
CID 64975393
methyl 2-amino-4-[4-[(2R)-butan-2-yl]phenyl]-5-methylthiophene-3-carboxylate
CID 903836
2-amino-4-(2,4-dimethylphenyl)-5-ethyl-N,N-dimethylthiophene-3-carboxamide
CID 82056744

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide (CID 82056734) is 2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide is CCc1sc(N)c(C(=O)NC(C)C)c1-c1ccc(C)cc1.
What is the InChIKey of 2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is BQCRLMFYFWJKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-5-13-14(12-8-6-11(4)7-9-12)15(16(18)21-13)17(20)19-10(2)3/h6-10H,5,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide?
2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 82056734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).