N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide

C19H17BrN2O4S2 — CID 26176103

IUPACN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C19H17BrN2O4S2/c1-12-5-7-14(20)15(10-12)22-28(24,25)18-11-13(6-8-16(18)26-2)21-19(23)17-4-3-9-27-17/h3-11,22H,1-2H3,(H,21,23)
InChIKeyBBRVSWUESZEEKY-UHFFFAOYSA-N
MW481.39 g/mol
LogP4.88
Rot. Bonds6

About N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide

N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 26176103) has the molecular formula C19H17BrN2O4S2 and a molecular weight of 481.39 g/mol. Its IUPAC name is N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
PubChem CID26176103
Molecular FormulaC19H17BrN2O4S2
Molecular Weight481.39 g/mol
Exact Mass479.98
IUPAC NameN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C19H17BrN2O4S2/c1-12-5-7-14(20)15(10-12)22-28(24,25)18-11-13(6-8-16(18)26-2)21-19(23)17-4-3-9-27-17/h3-11,22H,1-2H3,(H,21,23)
InChIKeyBBRVSWUESZEEKY-UHFFFAOYSA-N
XLogP4.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26875602
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide
CID 25335535
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 25472760
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467
N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30661239
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 39709166
2-methoxyethyl (2E)-2-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]hydrazinylidene]-2-cyanoacetate
CID 6218604
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37138088
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide (CID 26176103) is N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is BBRVSWUESZEEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4S2/c1-12-5-7-14(20)15(10-12)22-28(24,25)18-11-13(6-8-16(18)26-2)21-19(23)17-4-3-9-27-17/h3-11,22H,1-2H3,(H,21,23).
What are the key properties of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 481.39 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 26176103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).