2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide

C16H19FN2OS — CID 114830954

IUPAC2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(N)sc(-c2ccccc2F)c1C
InChIInChI=1S/C16H19FN2OS/c1-4-19(5-2)16(20)13-10(3)14(21-15(13)18)11-8-6-7-9-12(11)17/h6-9H,4-5,18H2,1-3H3
InChIKeyLBSVOHZIGXWBQI-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.93
Rot. Bonds4

About 2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide

2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide (PubChem CID 114830954) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide
PubChem CID114830954
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(N)sc(-c2ccccc2F)c1C
InChIInChI=1S/C16H19FN2OS/c1-4-19(5-2)16(20)13-10(3)14(21-15(13)18)11-8-6-7-9-12(11)17/h6-9H,4-5,18H2,1-3H3
InChIKeyLBSVOHZIGXWBQI-UHFFFAOYSA-N
XLogP3.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.93
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-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide
CID 114830951
2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
CID 114830937
[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone
CID 114830957
2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide
CID 82056975
methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899541
2-amino-N,N-diethyl-4-phenylthiophene-3-carboxamide
CID 82056870
N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 107013078
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-N-ethyl-6-fluorobenzamide
CID 114559245
3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide
CID 79511482
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,6-difluorobenzamide
CID 76910656
N-ethyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 134014500

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide (CID 114830954) is 2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide is CCN(CC)C(=O)c1c(N)sc(-c2ccccc2F)c1C.
What is the InChIKey of 2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide?
The InChIKey is LBSVOHZIGXWBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-4-19(5-2)16(20)13-10(3)14(21-15(13)18)11-8-6-7-9-12(11)17/h6-9H,4-5,18H2,1-3H3.
What are the key properties of 2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide?
2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.93, 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-(2-fluorophenyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 114830954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).