N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide

C21H23BrN2O5S — CID 25374190

IUPACN-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@@H]3C=CCC3)ccc2OC)cc1Br
InChIInChI=1S/C21H23BrN2O5S/c1-28-18-9-8-16(12-17(18)22)24-30(26,27)20-13-15(7-10-19(20)29-2)23-21(25)11-14-5-3-4-6-14/h3,5,7-10,12-14,24H,4,6,11H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyQBYLHUDVNLAQEH-CQSZACIVSA-N
MW495.40 g/mol
LogP4.56
Rot. Bonds8

About N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide

N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide (PubChem CID 25374190) has the molecular formula C21H23BrN2O5S and a molecular weight of 495.40 g/mol. Its IUPAC name is N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
PubChem CID25374190
Molecular FormulaC21H23BrN2O5S
Molecular Weight495.40 g/mol
Exact Mass494.05
IUPAC NameN-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@@H]3C=CCC3)ccc2OC)cc1Br
InChIInChI=1S/C21H23BrN2O5S/c1-28-18-9-8-16(12-17(18)22)24-30(26,27)20-13-15(7-10-19(20)29-2)23-21(25)11-14-5-3-4-6-14/h3,5,7-10,12-14,24H,4,6,11H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyQBYLHUDVNLAQEH-CQSZACIVSA-N
XLogP4.56
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9322651
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide
CID 3546890
2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
CID 94820198
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26875602
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide
CID 60728386
2-cyclopent-2-en-1-yl-N-(2,5-dimethoxyphenyl)acetamide
CID 18196579
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068771
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 129376635
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]furan-3-carboxamide
CID 25348399

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide (CID 25374190) is N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@@H]3C=CCC3)ccc2OC)cc1Br.
What is the InChIKey of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is QBYLHUDVNLAQEH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23BrN2O5S/c1-28-18-9-8-16(12-17(18)22)24-30(26,27)20-13-15(7-10-19(20)29-2)23-21(25)11-14-5-3-4-6-14/h3,5,7-10,12-14,24H,4,6,11H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 495.40 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 25374190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).