5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide

C15H16FNO2S — CID 58826651

IUPAC5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide
SMILESCOCc1cc(C(=O)N(C)C)sc1-c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c1-17(2)15(18)13-8-11(9-19-3)14(20-13)10-4-6-12(16)7-5-10/h4-8H,9H2,1-3H3
InChIKeyHNTCKMVBNDSJRI-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.40
Rot. Bonds4

About 5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide

5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 58826651) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide
PubChem CID58826651
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide
SMILESCOCc1cc(C(=O)N(C)C)sc1-c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c1-17(2)15(18)13-8-11(9-19-3)14(20-13)10-4-6-12(16)7-5-10/h4-8H,9H2,1-3H3
InChIKeyHNTCKMVBNDSJRI-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide (CID 58826651) is 5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide is COCc1cc(C(=O)N(C)C)sc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is HNTCKMVBNDSJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-17(2)15(18)13-8-11(9-19-3)14(20-13)10-4-6-12(16)7-5-10/h4-8H,9H2,1-3H3.
What are the key properties of 5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide?
5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 58826651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).