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

C15H17FN2OS — CID 114830947

IUPAC2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCc1c(-c2ccc(F)cc2)sc(N)c1C(=O)NC(C)C
InChIInChI=1S/C15H17FN2OS/c1-8(2)18-15(19)12-9(3)13(20-14(12)17)10-4-6-11(16)7-5-10/h4-8H,17H2,1-3H3,(H,18,19)
InChIKeyOBMLCDAEBBJYSC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.58
Rot. Bonds3

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

2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 114830947) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
PubChem CID114830947
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCc1c(-c2ccc(F)cc2)sc(N)c1C(=O)NC(C)C
InChIInChI=1S/C15H17FN2OS/c1-8(2)18-15(19)12-9(3)13(20-14(12)17)10-4-6-11(16)7-5-10/h4-8H,17H2,1-3H3,(H,18,19)
InChIKeyOBMLCDAEBBJYSC-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.58
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

5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide
CID 63273246
2-amino-4-methyl-5-[4-(2-methylpropanoylamino)phenyl]thiophene-3-carboxylic acid
CID 18458626
2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82056734
ethyl 2-amino-4-(4-fluorophenyl)-5-pyridin-4-ylthiophene-3-carboxylate
CID 139906318
2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
CID 114830937
2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
CID 82056985
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385
2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide
CID 43367236
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 64975274

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide (CID 114830947) is 2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide is Cc1c(-c2ccc(F)cc2)sc(N)c1C(=O)NC(C)C.
What is the InChIKey of 2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is OBMLCDAEBBJYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-8(2)18-15(19)12-9(3)13(20-14(12)17)10-4-6-11(16)7-5-10/h4-8H,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide?
2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 114830947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).