N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide

C19H17BrN2O5S2 — CID 26875602

IUPACN-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2OC)cc1Br
InChIInChI=1S/C19H17BrN2O5S2/c1-26-15-7-6-13(10-14(15)20)22-29(24,25)18-11-12(5-8-16(18)27-2)21-19(23)17-4-3-9-28-17/h3-11,22H,1-2H3,(H,21,23)
InChIKeyJHKIYCCWIYBVRD-UHFFFAOYSA-N
MW497.39 g/mol
LogP4.58
Rot. Bonds7

About N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide

N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 26875602) has the molecular formula C19H17BrN2O5S2 and a molecular weight of 497.39 g/mol. Its IUPAC name is N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
PubChem CID26875602
Molecular FormulaC19H17BrN2O5S2
Molecular Weight497.39 g/mol
Exact Mass495.98
IUPAC NameN-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2OC)cc1Br
InChIInChI=1S/C19H17BrN2O5S2/c1-26-15-7-6-13(10-14(15)20)22-29(24,25)18-11-12(5-8-16(18)27-2)21-19(23)17-4-3-9-28-17/h3-11,22H,1-2H3,(H,21,23)
InChIKeyJHKIYCCWIYBVRD-UHFFFAOYSA-N
XLogP4.58
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26176103
N-[4-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 2279231
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 39709166
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 34081958
N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30661239
N-[3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 46568166
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide (CID 26875602) is N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2OC)cc1Br.
What is the InChIKey of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is JHKIYCCWIYBVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O5S2/c1-26-15-7-6-13(10-14(15)20)22-29(24,25)18-11-12(5-8-16(18)27-2)21-19(23)17-4-3-9-28-17/h3-11,22H,1-2H3,(H,21,23).
What are the key properties of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 497.39 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 26875602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).