N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide

C13H16F3N3O2S — CID 166252300

IUPACN-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)N2CC(C(F)(F)F)C2)c(C)s1
InChIInChI=1S/C13H16F3N3O2S/c1-3-17-11(20)10-4-9(7(2)22-10)18-12(21)19-5-8(6-19)13(14,15)16/h4,8H,3,5-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyHWMQAFYAPGNCNK-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.83
Rot. Bonds3

About N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide

N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 166252300) has the molecular formula C13H16F3N3O2S and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID166252300
Molecular FormulaC13H16F3N3O2S
Molecular Weight335.35 g/mol
Exact Mass335.09
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)N2CC(C(F)(F)F)C2)c(C)s1
InChIInChI=1S/C13H16F3N3O2S/c1-3-17-11(20)10-4-9(7(2)22-10)18-12(21)19-5-8(6-19)13(14,15)16/h4,8H,3,5-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyHWMQAFYAPGNCNK-UHFFFAOYSA-N
XLogP2.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide (CID 166252300) is N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide is CCNC(=O)c1cc(NC(=O)N2CC(C(F)(F)F)C2)c(C)s1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is HWMQAFYAPGNCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2S/c1-3-17-11(20)10-4-9(7(2)22-10)18-12(21)19-5-8(6-19)13(14,15)16/h4,8H,3,5-6H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 166252300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).