2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide

C16H20N2OS — CID 82056975

IUPAC2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(N)sc(C)c1-c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-4-18(5-2)16(19)14-13(11(3)20-15(14)17)12-9-7-6-8-10-12/h6-10H,4-5,17H2,1-3H3
InChIKeyCYIQKRMGRPNYCX-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.79
Rot. Bonds4

About 2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide

2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide (PubChem CID 82056975) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide
PubChem CID82056975
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(N)sc(C)c1-c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-4-18(5-2)16(19)14-13(11(3)20-15(14)17)12-9-7-6-8-10-12/h6-10H,4-5,17H2,1-3H3
InChIKeyCYIQKRMGRPNYCX-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 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 ≤ 53.79
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-N,N-diethyl-4-phenylthiophene-3-carboxamide
CID 82056870
2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide
CID 114830954
2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
CID 82056985
2-amino-5-methyl-4-(4-propoxyphenyl)thiophene-3-carboxylic acid
CID 39079267
ethyl 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate
CID 5180789
2-O-ethyl 4-O-methyl 5-amino-3-phenylthiophene-2,4-dicarboxylate
CID 64891834
CID 174412487
CID 174412487
N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide
CID 10854189
ethyl 2-amino-4-(4-butan-2-ylphenyl)-5-methylthiophene-3-carboxylate
CID 3562935
methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899541
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
methyl 2-amino-5-pentyl-4-phenylthiophene-3-carboxylate
CID 71668939

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide (CID 82056975) is 2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide is CCN(CC)C(=O)c1c(N)sc(C)c1-c1ccccc1.
What is the InChIKey of 2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide?
The InChIKey is CYIQKRMGRPNYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-18(5-2)16(19)14-13(11(3)20-15(14)17)12-9-7-6-8-10-12/h6-10H,4-5,17H2,1-3H3.
What are the key properties of 2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide?
2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide is sourced from PubChem (CID 82056975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).