2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide

C11H15F2N3O3S — CID 107485683

IUPAC2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C11H15F2N3O3S/c12-8(13)5-16(2-3-17)6-9(18)15-11-7(10(14)19)1-4-20-11/h1,4,8,17H,2-3,5-6H2,(H2,14,19)(H,15,18)
InChIKeyDIPOWDJOSLZYOF-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.34
Rot. Bonds8

About 2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 107485683) has the molecular formula C11H15F2N3O3S and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide
PubChem CID107485683
Molecular FormulaC11H15F2N3O3S
Molecular Weight307.32 g/mol
Exact Mass307.08
IUPAC Name2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C11H15F2N3O3S/c12-8(13)5-16(2-3-17)6-9(18)15-11-7(10(14)19)1-4-20-11/h1,4,8,17H,2-3,5-6H2,(H2,14,19)(H,15,18)
InChIKeyDIPOWDJOSLZYOF-UHFFFAOYSA-N
XLogP0.34
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide (CID 107485683) is 2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN(CCO)CC(F)F.
What is the InChIKey of 2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is DIPOWDJOSLZYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O3S/c12-8(13)5-16(2-3-17)6-9(18)15-11-7(10(14)19)1-4-20-11/h1,4,8,17H,2-3,5-6H2,(H2,14,19)(H,15,18).
What are the key properties of 2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 307.32 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 107485683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).