3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide

C11H17F2N3O3S2 — CID 103505774

IUPAC3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide
SMILESCCS(=O)(=O)c1c(NCC(F)F)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C11H17F2N3O3S2/c1-4-21(18,19)9-7(14)8(11(17)16(2)3)20-10(9)15-5-6(12)13/h6,15H,4-5,14H2,1-3H3
InChIKeyIAUMUASDRVCRGU-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.50
Rot. Bonds6

About 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide

3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103505774) has the molecular formula C11H17F2N3O3S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide
PubChem CID103505774
Molecular FormulaC11H17F2N3O3S2
Molecular Weight341.41 g/mol
Exact Mass341.07
IUPAC Name3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide
SMILESCCS(=O)(=O)c1c(NCC(F)F)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C11H17F2N3O3S2/c1-4-21(18,19)9-7(14)8(11(17)16(2)3)20-10(9)15-5-6(12)13/h6,15H,4-5,14H2,1-3H3
InChIKeyIAUMUASDRVCRGU-UHFFFAOYSA-N
XLogP1.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide (CID 103505774) is 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide is CCS(=O)(=O)c1c(NCC(F)F)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is IAUMUASDRVCRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O3S2/c1-4-21(18,19)9-7(14)8(11(17)16(2)3)20-10(9)15-5-6(12)13/h6,15H,4-5,14H2,1-3H3.
What are the key properties of 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide?
3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103505774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).