4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide

C15H14Br2N2O2S — CID 2563684

IUPAC4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H14Br2N2O2S/c16-10-9-13(22-14(10)17)15(20)18-11-3-1-2-4-12(11)19-5-7-21-8-6-19/h1-4,9H,5-8H2,(H,18,20)
InChIKeyKYBRKCNNNKPZCQ-UHFFFAOYSA-N
MW446.16 g/mol
LogP4.36
Rot. Bonds3

About 4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 2563684) has the molecular formula C15H14Br2N2O2S and a molecular weight of 446.16 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID2563684
Molecular FormulaC15H14Br2N2O2S
Molecular Weight446.16 g/mol
Exact Mass443.91
IUPAC Name4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H14Br2N2O2S/c16-10-9-13(22-14(10)17)15(20)18-11-3-1-2-4-12(11)19-5-7-21-8-6-19/h1-4,9H,5-8H2,(H,18,20)
InChIKeyKYBRKCNNNKPZCQ-UHFFFAOYSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.16
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-morpholinophenyl)-2-thiophenecarboxamide
CID 1485336
N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
4-(4,5-Dibromothiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2100759
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 734614
N-(3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 847853
N-(2,4-di-4-morpholinylphenyl)-2-thiophenecarboxamide
CID 2204063
N'-(4-bromophenyl)-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]oxamide
CID 2931346
N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9409506
N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide
CID 2102940
5-ethyl-4-methyl-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 2521207
N-(3-bromophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 2993589

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 2563684) is 4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is KYBRKCNNNKPZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2S/c16-10-9-13(22-14(10)17)15(20)18-11-3-1-2-4-12(11)19-5-7-21-8-6-19/h1-4,9H,5-8H2,(H,18,20).
What are the key properties of 4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 446.16 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2563684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).