N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide

C16H17F2NO2S — CID 8502623

IUPACN-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(OC(F)F)cc2)sc1C
InChIInChI=1S/C16H17F2NO2S/c1-3-4-11-9-14(22-10(11)2)15(20)19-12-5-7-13(8-6-12)21-16(17)18/h5-9,16H,3-4H2,1-2H3,(H,19,20)
InChIKeyVHGOMZJDWSHGKB-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.86
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide

N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 8502623) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID8502623
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(OC(F)F)cc2)sc1C
InChIInChI=1S/C16H17F2NO2S/c1-3-4-11-9-14(22-10(11)2)15(20)19-12-5-7-13(8-6-12)21-16(17)18/h5-9,16H,3-4H2,1-2H3,(H,19,20)
InChIKeyVHGOMZJDWSHGKB-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide (CID 8502623) is N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2ccc(OC(F)F)cc2)sc1C.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is VHGOMZJDWSHGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2S/c1-3-4-11-9-14(22-10(11)2)15(20)19-12-5-7-13(8-6-12)21-16(17)18/h5-9,16H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 8502623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).