4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide

C12H17F2N3O2S — CID 103505734

IUPAC4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
SMILESCNC(=O)c1c(NCC(F)F)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C12H17F2N3O2S/c1-5(2)9(18)10-8(15)7(11(19)16-3)12(20-10)17-4-6(13)14/h5-6,17H,4,15H2,1-3H3,(H,16,19)
InChIKeyJNAYYLHPSLTGDQ-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.21
Rot. Bonds6

About 4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide

4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide (PubChem CID 103505734) has the molecular formula C12H17F2N3O2S and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
PubChem CID103505734
Molecular FormulaC12H17F2N3O2S
Molecular Weight305.35 g/mol
Exact Mass305.10
IUPAC Name4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
SMILESCNC(=O)c1c(NCC(F)F)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C12H17F2N3O2S/c1-5(2)9(18)10-8(15)7(11(19)16-3)12(20-10)17-4-6(13)14/h5-6,17H,4,15H2,1-3H3,(H,16,19)
InChIKeyJNAYYLHPSLTGDQ-UHFFFAOYSA-N
XLogP2.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-5-(2,2-difluoroethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103505715
methyl 4-amino-2-(2,2-difluoroethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103505718
4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103423685
3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103505782
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423814
5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
CID 114267286
methyl 4-amino-2-(2,2-difluoroethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103505674
4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
CID 103425607
3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide
CID 103426938
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide
CID 103506398
3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423183

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The IUPAC name of 4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide (CID 103505734) is 4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide is CNC(=O)c1c(NCC(F)F)sc(C(=O)C(C)C)c1N.
What is the InChIKey of 4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide?
The InChIKey is JNAYYLHPSLTGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2S/c1-5(2)9(18)10-8(15)7(11(19)16-3)12(20-10)17-4-6(13)14/h5-6,17H,4,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide?
4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide is sourced from PubChem (CID 103505734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).