5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide

C19H24BrN3O4S — CID 16881315

IUPAC5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C19H24BrN3O4S/c20-18-7-6-17(27-18)19(24)21-9-15-28(25,26)23-13-11-22(12-14-23)10-8-16-4-2-1-3-5-16/h1-7H,8-15H2,(H,21,24)
InChIKeyFWMSCJQDTPVLEO-UHFFFAOYSA-N
MW470.39 g/mol
LogP1.96
Rot. Bonds8

About 5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide

5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide (PubChem CID 16881315) has the molecular formula C19H24BrN3O4S and a molecular weight of 470.39 g/mol. Its IUPAC name is 5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
PubChem CID16881315
Molecular FormulaC19H24BrN3O4S
Molecular Weight470.39 g/mol
Exact Mass469.07
IUPAC Name5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C19H24BrN3O4S/c20-18-7-6-17(27-18)19(24)21-9-15-28(25,26)23-13-11-22(12-14-23)10-8-16-4-2-1-3-5-16/h1-7H,8-15H2,(H,21,24)
InChIKeyFWMSCJQDTPVLEO-UHFFFAOYSA-N
XLogP1.96
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide
CID 29195593
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 22578905
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
CID 16881168
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
CID 16881055
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
CID 42590040
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide (CID 16881315) is 5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide is O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide?
The InChIKey is FWMSCJQDTPVLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O4S/c20-18-7-6-17(27-18)19(24)21-9-15-28(25,26)23-13-11-22(12-14-23)10-8-16-4-2-1-3-5-16/h1-7H,8-15H2,(H,21,24).
What are the key properties of 5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide?
5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide has a molecular weight of 470.39 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide is sourced from PubChem (CID 16881315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).