2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide

C11H13Cl2NO3S — CID 107302139

IUPAC2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-6-11(16,2-3-17-6)5-14-10(15)7-4-8(12)18-9(7)13/h4,6,16H,2-3,5H2,1H3,(H,14,15)
InChIKeyVCACRMKRKBEMJB-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.32
Rot. Bonds3

About 2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide

2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 107302139) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
PubChem CID107302139
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-6-11(16,2-3-17-6)5-14-10(15)7-4-8(12)18-9(7)13/h4,6,16H,2-3,5H2,1H3,(H,14,15)
InChIKeyVCACRMKRKBEMJB-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methoxybenzamide
CID 107301442
4-amino-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099080
2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301456
5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide
CID 107301534
5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 106100363
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 107301756
5-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzamide
CID 107302287
2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103767627
2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
CID 107301454
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099116

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide (CID 107302139) is 2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide is CC1OCCC1(O)CNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is VCACRMKRKBEMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c1-6-11(16,2-3-17-6)5-14-10(15)7-4-8(12)18-9(7)13/h4,6,16H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 310.20 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 107302139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).