4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide

C8H10ClNO2S — CID 70069169

IUPAC4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide
SMILESCC(C)(O)c1sc(C(N)=O)cc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-8(2,12)6-4(9)3-5(13-6)7(10)11/h3,12H,1-2H3,(H2,10,11)
InChIKeyXJDMFNYWGDXAOL-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.73
Rot. Bonds2

About 4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide

4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide (PubChem CID 70069169) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide
PubChem CID70069169
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide
SMILESCC(C)(O)c1sc(C(N)=O)cc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-8(2,12)6-4(9)3-5(13-6)7(10)11/h3,12H,1-2H3,(H2,10,11)
InChIKeyXJDMFNYWGDXAOL-UHFFFAOYSA-N
XLogP1.73
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide (CID 70069169) is 4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide is CC(C)(O)c1sc(C(N)=O)cc1Cl.
What is the InChIKey of 4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide?
The InChIKey is XJDMFNYWGDXAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-8(2,12)6-4(9)3-5(13-6)7(10)11/h3,12H,1-2H3,(H2,10,11).
What are the key properties of 4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide?
4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide has a molecular weight of 219.69 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 70069169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).