N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide

C14H15BrN2O3S2 — CID 170018029

IUPACN-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2Br)s1
InChIInChI=1S/C14H15BrN2O3S2/c1-9-3-4-10(11(15)7-9)8-17-14(18)12-5-6-13(21-12)22(19,20)16-2/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyPZKMHFRKYRHFDE-UHFFFAOYSA-N
MW403.32 g/mol
LogP2.66
Rot. Bonds5

About N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide

N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide (PubChem CID 170018029) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
PubChem CID170018029
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC NameN-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2Br)s1
InChIInChI=1S/C14H15BrN2O3S2/c1-9-3-4-10(11(15)7-9)8-17-14(18)12-5-6-13(21-12)22(19,20)16-2/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyPZKMHFRKYRHFDE-UHFFFAOYSA-N
XLogP2.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 162436549
N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 162436639
N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide
CID 162436580
N-[[4-(1,1-difluoroethyl)-2-methylphenyl]methyl]-5-methylsulfonylthiophene-2-carboxamide
CID 170018103
4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 47152770
3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 47152765
2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide
CID 115556585
N-[(2-bromo-4-methylphenyl)methyl]ethenesulfonamide
CID 167872887
5-[(3-bromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63334136
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 167529315
1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 84589778
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide (CID 170018029) is N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2Br)s1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is PZKMHFRKYRHFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c1-9-3-4-10(11(15)7-9)8-17-14(18)12-5-6-13(21-12)22(19,20)16-2/h3-7,16H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 170018029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).