N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide

C19H23N3O3S — CID 2204063

IUPACN-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccs1
InChIInChI=1S/C19H23N3O3S/c23-19(18-2-1-13-26-18)20-16-4-3-15(21-5-9-24-10-6-21)14-17(16)22-7-11-25-12-8-22/h1-4,13-14H,5-12H2,(H,20,23)
InChIKeyXFHYBOOIIQJTMQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.67
Rot. Bonds4

About N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide

N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 2204063) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID2204063
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccs1
InChIInChI=1S/C19H23N3O3S/c23-19(18-2-1-13-26-18)20-16-4-3-15(21-5-9-24-10-6-21)14-17(16)22-7-11-25-12-8-22/h1-4,13-14H,5-12H2,(H,20,23)
InChIKeyXFHYBOOIIQJTMQ-UHFFFAOYSA-N
XLogP2.67
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide (CID 2204063) is N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccs1.
What is the InChIKey of N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is XFHYBOOIIQJTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(18-2-1-13-26-18)20-16-4-3-15(21-5-9-24-10-6-21)14-17(16)22-7-11-25-12-8-22/h1-4,13-14H,5-12H2,(H,20,23).
What are the key properties of N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide?
N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimorpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2204063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).