3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide

C7H8ClNO3S — CID 171867560

IUPAC3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccsc1Cl
InChIInChI=1S/C7H8ClNO3S/c8-6-3(1-2-13-6)4(10)5(11)7(9)12/h1-2,4-5,10-11H,(H2,9,12)
InChIKeyVWZATCSDZADZBL-UHFFFAOYSA-N
MW221.66 g/mol
LogP0.28
Rot. Bonds3

About 3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide

3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide (PubChem CID 171867560) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide
PubChem CID171867560
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccsc1Cl
InChIInChI=1S/C7H8ClNO3S/c8-6-3(1-2-13-6)4(10)5(11)7(9)12/h1-2,4-5,10-11H,(H2,9,12)
InChIKeyVWZATCSDZADZBL-UHFFFAOYSA-N
XLogP0.28
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide (CID 171867560) is 3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccsc1Cl.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide?
The InChIKey is VWZATCSDZADZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c8-6-3(1-2-13-6)4(10)5(11)7(9)12/h1-2,4-5,10-11H,(H2,9,12).
What are the key properties of 3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide?
3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide has a molecular weight of 221.66 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171867560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).