2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide

C12H14Cl2N2O3S — CID 51097659

IUPAC2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1cc(Cl)sc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C12H14Cl2N2O3S/c1-7(12(18)16-2-4-19-5-3-16)15-11(17)8-6-9(13)20-10(8)14/h6-7H,2-5H2,1H3,(H,15,17)
InChIKeyQJHCNHKKUGETIC-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.03
Rot. Bonds3

About 2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide

2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide (PubChem CID 51097659) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide
PubChem CID51097659
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC Name2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1cc(Cl)sc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C12H14Cl2N2O3S/c1-7(12(18)16-2-4-19-5-3-16)15-11(17)8-6-9(13)20-10(8)14/h6-7H,2-5H2,1H3,(H,15,17)
InChIKeyQJHCNHKKUGETIC-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide (CID 51097659) is 2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide is CC(NC(=O)c1cc(Cl)sc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of 2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide?
The InChIKey is QJHCNHKKUGETIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-7(12(18)16-2-4-19-5-3-16)15-11(17)8-6-9(13)20-10(8)14/h6-7H,2-5H2,1H3,(H,15,17).
What are the key properties of 2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide has a molecular weight of 337.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 51097659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).