2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide

C11H13Cl2NO3S — CID 103712060

IUPAC2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c12-8-5-7(9(13)18-8)10(15)14-6-11(16)1-3-17-4-2-11/h5,16H,1-4,6H2,(H,14,15)
InChIKeyYVBDLLNLDURRIO-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.33
Rot. Bonds3

About 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide

2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 103712060) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
PubChem CID103712060
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c12-8-5-7(9(13)18-8)10(15)14-6-11(16)1-3-17-4-2-11/h5,16H,1-4,6H2,(H,14,15)
InChIKeyYVBDLLNLDURRIO-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107959705
2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103767627
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81133927
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113263350
4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 82833099
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-nitrobenzamide
CID 79037452
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 79038769

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide (CID 103712060) is 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide is O=C(NCC1(O)CCOCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is YVBDLLNLDURRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c12-8-5-7(9(13)18-8)10(15)14-6-11(16)1-3-17-4-2-11/h5,16H,1-4,6H2,(H,14,15).
What are the key properties of 2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 310.20 g/mol, XLogP of 2.33, 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-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 103712060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).