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

C18H16BrNO6S — CID 26792715

IUPAC5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Br)o2)c2ccco2)cc1
InChIInChI=1S/C18H16BrNO6S/c1-24-12-4-6-13(7-5-12)27(22,23)16(14-3-2-10-25-14)11-20-18(21)15-8-9-17(19)26-15/h2-10,16H,11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyMHYVTELSQUIQIO-INIZCTEOSA-N
MW454.30 g/mol
LogP3.59
Rot. Bonds7

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

5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide (PubChem CID 26792715) has the molecular formula C18H16BrNO6S and a molecular weight of 454.30 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide
PubChem CID26792715
Molecular FormulaC18H16BrNO6S
Molecular Weight454.30 g/mol
Exact Mass452.99
IUPAC Name5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Br)o2)c2ccco2)cc1
InChIInChI=1S/C18H16BrNO6S/c1-24-12-4-6-13(7-5-12)27(22,23)16(14-3-2-10-25-14)11-20-18(21)15-8-9-17(19)26-15/h2-10,16H,11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyMHYVTELSQUIQIO-INIZCTEOSA-N
XLogP3.59
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide
CID 20962895
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 110315102
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
N-[(2R)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]adamantane-1-carboxamide
CID 26792762
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40775081
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40774997
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]oxolane-2-carboxamide
CID 110315105
2-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)sulfonylethyl]furan
CID 110315122
N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 27444856
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 110315127
phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077
N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 22584481

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide (CID 26792715) is 5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide is COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Br)o2)c2ccco2)cc1.
What is the InChIKey of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide?
The InChIKey is MHYVTELSQUIQIO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16BrNO6S/c1-24-12-4-6-13(7-5-12)27(22,23)16(14-3-2-10-25-14)11-20-18(21)15-8-9-17(19)26-15/h2-10,16H,11H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide?
5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide has a molecular weight of 454.30 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide is sourced from PubChem (CID 26792715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).