5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide

C19H23FN2O2S — CID 22831295

IUPAC5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C19H23FN2O2S/c1-12-10-15(22-18(24)19(2,3)4)25-16(12)17(23)21-9-8-13-6-5-7-14(20)11-13/h5-7,10-11H,8-9H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyCWSGABGLFYQDDH-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.15
Rot. Bonds5

About 5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide

5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 22831295) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide
PubChem CID22831295
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C19H23FN2O2S/c1-12-10-15(22-18(24)19(2,3)4)25-16(12)17(23)21-9-8-13-6-5-7-14(20)11-13/h5-7,10-11H,8-9H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyCWSGABGLFYQDDH-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide (CID 22831295) is 5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCc1cccc(F)c1.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is CWSGABGLFYQDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-12-10-15(22-18(24)19(2,3)4)25-16(12)17(23)21-9-8-13-6-5-7-14(20)11-13/h5-7,10-11H,8-9H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 22831295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).