4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide

C8H10ClNO3S — CID 171898570

IUPAC4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccsc1Cl
InChIInChI=1S/C8H10ClNO3S/c9-8-4(1-2-14-8)7(13)5(11)3-6(10)12/h1-2,5,7,11,13H,3H2,(H2,10,12)
InChIKeyHNLKCBCIHKKYSO-UHFFFAOYSA-N
MW235.69 g/mol
LogP0.67
Rot. Bonds4

About 4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide

4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide (PubChem CID 171898570) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide
PubChem CID171898570
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccsc1Cl
InChIInChI=1S/C8H10ClNO3S/c9-8-4(1-2-14-8)7(13)5(11)3-6(10)12/h1-2,5,7,11,13H,3H2,(H2,10,12)
InChIKeyHNLKCBCIHKKYSO-UHFFFAOYSA-N
XLogP0.67
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide (CID 171898570) is 4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccsc1Cl.
What is the InChIKey of 4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide?
The InChIKey is HNLKCBCIHKKYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c9-8-4(1-2-14-8)7(13)5(11)3-6(10)12/h1-2,5,7,11,13H,3H2,(H2,10,12).
What are the key properties of 4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide?
4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide has a molecular weight of 235.69 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).