5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide

C10H12F2N2O3S — CID 104857645

IUPAC5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C10H12F2N2O3S/c1-6(16)14-8-3-2-7(18-8)9(17)13-4-10(11,12)5-15/h2-3,15H,4-5H2,1H3,(H,13,17)(H,14,16)
InChIKeyUOCQBXJEPCALPF-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.06
Rot. Bonds5

About 5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide

5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide (PubChem CID 104857645) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide
PubChem CID104857645
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C10H12F2N2O3S/c1-6(16)14-8-3-2-7(18-8)9(17)13-4-10(11,12)5-15/h2-3,15H,4-5H2,1H3,(H,13,17)(H,14,16)
InChIKeyUOCQBXJEPCALPF-UHFFFAOYSA-N
XLogP1.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(piperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480858
N-[5-(azocane-1-carbonyl)thiophen-2-yl]acetamide
CID 41294578
N-[5-(azepane-1-carbonyl)thiophen-2-yl]acetamide
CID 41360326
N-propyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 44480863
5-morpholin-4-yl-N-propylthiophene-2-carboxamide
CID 44481102
5-acetamido-N-cyclopropylthiophene-2-carboxamide
CID 24605414
N-(5-acetylthiophen-2-yl)-2,2,2-trifluoroacetamide
CID 23330381
5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide
CID 164603594
5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 18129589
5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 18136022
5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 18291995
5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 47137887

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide (CID 104857645) is 5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NCC(F)(F)CO)s1.
What is the InChIKey of 5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide?
The InChIKey is UOCQBXJEPCALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c1-6(16)14-8-3-2-7(18-8)9(17)13-4-10(11,12)5-15/h2-3,15H,4-5H2,1H3,(H,13,17)(H,14,16).
What are the key properties of 5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide?
5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 104857645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).