5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C18H21BrN2O4S — CID 45106543

IUPAC5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(CS(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C18H21BrN2O4S/c19-14-1-4-16(5-2-14)26(23)13-15-3-6-17(25-15)18(22)20-7-8-21-9-11-24-12-10-21/h1-6H,7-13H2,(H,20,22)
InChIKeyXXSQHDABBQWGKU-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.41
Rot. Bonds7

About 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 45106543) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
PubChem CID45106543
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(CS(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C18H21BrN2O4S/c19-14-1-4-16(5-2-14)26(23)13-15-3-6-17(25-15)18(22)20-7-8-21-9-11-24-12-10-21/h1-6H,7-13H2,(H,20,22)
InChIKeyXXSQHDABBQWGKU-UHFFFAOYSA-N
XLogP2.41
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 20899284
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 22554751
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 20859545
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
5-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 92687419
N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859539
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554639
N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461514
5-[(2,6-dimethylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 19446953
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 18162315
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 45106543) is 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is O=C(NCCN1CCOCC1)c1ccc(CS(=O)c2ccc(Br)cc2)o1.
What is the InChIKey of 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The InChIKey is XXSQHDABBQWGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c19-14-1-4-16(5-2-14)26(23)13-15-3-6-17(25-15)18(22)20-7-8-21-9-11-24-12-10-21/h1-6H,7-13H2,(H,20,22).
What are the key properties of 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 441.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 45106543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).