N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide

C18H21FN2OS — CID 119576078

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC(C)(CN)C2CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c1-11-15(12-3-7-14(19)8-4-12)9-16(23-11)17(22)21-18(2,10-20)13-5-6-13/h3-4,7-9,13H,5-6,10,20H2,1-2H3,(H,21,22)
InChIKeyZXGXUNJMRABTMH-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.72
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 119576078) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
PubChem CID119576078
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC(C)(CN)C2CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c1-11-15(12-3-7-14(19)8-4-12)9-16(23-11)17(22)21-18(2,10-20)13-5-6-13/h3-4,7-9,13H,5-6,10,20H2,1-2H3,(H,21,22)
InChIKeyZXGXUNJMRABTMH-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide (CID 119576078) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NC(C)(CN)C2CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is ZXGXUNJMRABTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-11-15(12-3-7-14(19)8-4-12)9-16(23-11)17(22)21-18(2,10-20)13-5-6-13/h3-4,7-9,13H,5-6,10,20H2,1-2H3,(H,21,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 119576078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).