N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide

C11H13F4NO3S2 — CID 56783718

IUPACN-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(F)F)C(=O)c1sccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H13F4NO3S2/c1-2-4-16(6-8(12)13)10(17)9-7(3-5-20-9)21(18,19)11(14)15/h3,5,8,11H,2,4,6H2,1H3
InChIKeyFSQAMHDFWVDBST-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.86
Rot. Bonds7

About N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide

N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide (PubChem CID 56783718) has the molecular formula C11H13F4NO3S2 and a molecular weight of 347.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide
PubChem CID56783718
Molecular FormulaC11H13F4NO3S2
Molecular Weight347.36 g/mol
Exact Mass347.03
IUPAC NameN-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(F)F)C(=O)c1sccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H13F4NO3S2/c1-2-4-16(6-8(12)13)10(17)9-7(3-5-20-9)21(18,19)11(14)15/h3,5,8,11H,2,4,6H2,1H3
InChIKeyFSQAMHDFWVDBST-UHFFFAOYSA-N
XLogP2.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide (CID 56783718) is N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide is CCCN(CC(F)F)C(=O)c1sccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide?
The InChIKey is FSQAMHDFWVDBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO3S2/c1-2-4-16(6-8(12)13)10(17)9-7(3-5-20-9)21(18,19)11(14)15/h3,5,8,11H,2,4,6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide?
N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide has a molecular weight of 347.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 56783718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).