4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide

C19H22Br2N2O3S — CID 45272172

IUPAC4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(OCCN2CCOCC2)c(Br)c1)c1cc(Br)cs1
InChIInChI=1S/C19H22Br2N2O3S/c20-15-12-18(27-13-15)19(24)22-4-3-14-1-2-17(16(21)11-14)26-10-7-23-5-8-25-9-6-23/h1-2,11-13H,3-10H2,(H,22,24)
InChIKeyTUHVKPCMNPVYQI-UHFFFAOYSA-N
MW518.27 g/mol
LogP3.96
Rot. Bonds8

About 4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide

4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide (PubChem CID 45272172) has the molecular formula C19H22Br2N2O3S and a molecular weight of 518.27 g/mol. Its IUPAC name is 4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide
PubChem CID45272172
Molecular FormulaC19H22Br2N2O3S
Molecular Weight518.27 g/mol
Exact Mass515.97
IUPAC Name4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(OCCN2CCOCC2)c(Br)c1)c1cc(Br)cs1
InChIInChI=1S/C19H22Br2N2O3S/c20-15-12-18(27-13-15)19(24)22-4-3-14-1-2-17(16(21)11-14)26-10-7-23-5-8-25-9-6-23/h1-2,11-13H,3-10H2,(H,22,24)
InChIKeyTUHVKPCMNPVYQI-UHFFFAOYSA-N
XLogP3.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide (CID 45272172) is 4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide is O=C(NCCc1ccc(OCCN2CCOCC2)c(Br)c1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide?
The InChIKey is TUHVKPCMNPVYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Br2N2O3S/c20-15-12-18(27-13-15)19(24)22-4-3-14-1-2-17(16(21)11-14)26-10-7-23-5-8-25-9-6-23/h1-2,11-13H,3-10H2,(H,22,24).
What are the key properties of 4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide?
4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide has a molecular weight of 518.27 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 45272172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).