N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide

C15H18N2O3S2 — CID 6503076

IUPACN-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)cs2)c(C)c1
InChIInChI=1S/C15H18N2O3S2/c1-10-5-6-13(11(2)7-10)16-15(18)14-8-12(9-21-14)22(19,20)17(3)4/h5-9H,1-4H3,(H,16,18)
InChIKeyPAUKEIVMQZJJDI-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.87
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide

N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide (PubChem CID 6503076) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
PubChem CID6503076
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)cs2)c(C)c1
InChIInChI=1S/C15H18N2O3S2/c1-10-5-6-13(11(2)7-10)16-15(18)14-8-12(9-21-14)22(19,20)17(3)4/h5-9H,1-4H3,(H,16,18)
InChIKeyPAUKEIVMQZJJDI-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide
CID 6503102
4-(dimethylsulfamoyl)-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503064
N-(2,4-dimethylphenyl)-4-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 6503852
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
CID 6503075
4-[methyl-(3-methylphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503694
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide
CID 112996377
3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6503094
4-[(2,6-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 19486917
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
N-(2-methylphenyl)-4-[(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6504099
N-(2-methylphenyl)-4-(propan-2-ylsulfamoyl)thiophene-2-carboxamide
CID 6504111

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide (CID 6503076) is N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)cs2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is PAUKEIVMQZJJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-10-5-6-13(11(2)7-10)16-15(18)14-8-12(9-21-14)22(19,20)17(3)4/h5-9H,1-4H3,(H,16,18).
What are the key properties of N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide?
N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 6503076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).