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

C14H15FN2OS — CID 82056985

IUPAC2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
SMILESCCNC(=O)c1c(N)sc(C)c1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2OS/c1-3-17-14(18)12-11(8(2)19-13(12)16)9-4-6-10(15)7-5-9/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKeyUYDMMSHHORALGD-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.19
Rot. Bonds3

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

2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide (PubChem CID 82056985) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
PubChem CID82056985
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
SMILESCCNC(=O)c1c(N)sc(C)c1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2OS/c1-3-17-14(18)12-11(8(2)19-13(12)16)9-4-6-10(15)7-5-9/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKeyUYDMMSHHORALGD-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.19
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-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate
CID 5180789
2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide
CID 82056975
methyl 2-amino-4-[4-[(2R)-butan-2-yl]phenyl]-5-methylthiophene-3-carboxylate
CID 903836
diethyl 3,6-bis(4-fluorophenyl)thieno[3,2-b]thiophene-2,5-dicarboxylate
CID 134386122
2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide
CID 82056632
2-amino-5-methyl-4-(4-propoxyphenyl)thiophene-3-carboxylic acid
CID 39079267
ethyl 2-amino-4-(4-fluorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophene-3-carboxylate
CID 2308588
ethyl 2-amino-4-(4-fluorophenyl)-5-pyridin-4-ylthiophene-3-carboxylate
CID 139906318
ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
CID 84560402
ethyl 2-amino-4-(4-butan-2-ylphenyl)-5-methylthiophene-3-carboxylate
CID 3562935
2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 114830947
ethyl 4-(4-fluorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
CID 4570373

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide (CID 82056985) is 2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide is CCNC(=O)c1c(N)sc(C)c1-c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide?
The InChIKey is UYDMMSHHORALGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-3-17-14(18)12-11(8(2)19-13(12)16)9-4-6-10(15)7-5-9/h4-7H,3,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide?
2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 82056985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).