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

C18H22BrN3O5S — CID 22578905

IUPAC5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C18H22BrN3O5S/c1-26-15-5-3-2-4-14(15)21-9-11-22(12-10-21)28(24,25)13-8-20-18(23)16-6-7-17(19)27-16/h2-7H,8-13H2,1H3,(H,20,23)
InChIKeyGTWKYLXVGSLPEP-UHFFFAOYSA-N
MW472.36 g/mol
LogP1.93
Rot. Bonds7

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

5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide (PubChem CID 22578905) has the molecular formula C18H22BrN3O5S and a molecular weight of 472.36 g/mol. Its IUPAC name is 5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
PubChem CID22578905
Molecular FormulaC18H22BrN3O5S
Molecular Weight472.36 g/mol
Exact Mass471.05
IUPAC Name5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C18H22BrN3O5S/c1-26-15-5-3-2-4-14(15)21-9-11-22(12-10-21)28(24,25)13-8-20-18(23)16-6-7-17(19)27-16/h2-7H,8-13H2,1H3,(H,20,23)
InChIKeyGTWKYLXVGSLPEP-UHFFFAOYSA-N
XLogP1.93
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide
CID 16825869
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide
CID 24790968
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 22578894
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850815
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55763452
N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850808
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215
2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349582
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 3717888

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide (CID 22578905) is 5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide is COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide?
The InChIKey is GTWKYLXVGSLPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O5S/c1-26-15-5-3-2-4-14(15)21-9-11-22(12-10-21)28(24,25)13-8-20-18(23)16-6-7-17(19)27-16/h2-7H,8-13H2,1H3,(H,20,23).
What are the key properties of 5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide?
5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide has a molecular weight of 472.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide is sourced from PubChem (CID 22578905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).