4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide

C16H15BrN2O3S — CID 49417629

IUPAC4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CCO1
InChIInChI=1S/C16H15BrN2O3S/c17-11-3-1-10(2-4-11)13-5-6-14(23-13)16(21)19-7-8-22-12(9-19)15(18)20/h1-6,12H,7-9H2,(H2,18,20)
InChIKeyAAMQUWYTNGLGHE-UHFFFAOYSA-N
MW395.28 g/mol
LogP2.50
Rot. Bonds3

About 4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide

4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide (PubChem CID 49417629) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide
PubChem CID49417629
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC Name4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CCO1
InChIInChI=1S/C16H15BrN2O3S/c17-11-3-1-10(2-4-11)13-5-6-14(23-13)16(21)19-7-8-22-12(9-19)15(18)20/h1-6,12H,7-9H2,(H2,18,20)
InChIKeyAAMQUWYTNGLGHE-UHFFFAOYSA-N
XLogP2.50
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide?
The IUPAC name of 4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide (CID 49417629) is 4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CCO1.
What is the InChIKey of 4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide?
The InChIKey is AAMQUWYTNGLGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c17-11-3-1-10(2-4-11)13-5-6-14(23-13)16(21)19-7-8-22-12(9-19)15(18)20/h1-6,12H,7-9H2,(H2,18,20).
What are the key properties of 4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide?
4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide has a molecular weight of 395.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)thiophene-2-carbonyl]morpholine-2-carboxamide is sourced from PubChem (CID 49417629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).