N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide

C15H18N2O3S2 — CID 51319097

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H18N2O3S2/c1-11-8-9-21-14(11)15(18)16-10-12-6-4-5-7-13(12)22(19,20)17(2)3/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyCWJHRRJHHNFWOZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.24
Rot. Bonds5

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 51319097) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
PubChem CID51319097
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H18N2O3S2/c1-11-8-9-21-14(11)15(18)16-10-12-6-4-5-7-13(12)22(19,20)17(2)3/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyCWJHRRJHHNFWOZ-UHFFFAOYSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 37398778
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24614043
N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 24684951
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
3-methyl-N-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]thiophene-2-carboxamide
CID 51114590
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide (CID 51319097) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is CWJHRRJHHNFWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-11-8-9-21-14(11)15(18)16-10-12-6-4-5-7-13(12)22(19,20)17(2)3/h4-9H,10H2,1-3H3,(H,16,18).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 51319097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).