N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide

C14H16N2O3S2 — CID 52791897

IUPACN-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc(S(N)(=O)=O)cc2C)c(C)c1
InChIInChI=1S/C14H16N2O3S2/c1-8-4-5-11(9(2)6-8)16-14(17)13-10(3)7-12(20-13)21(15,18)19/h4-7H,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeySHWPQKOOYVBYIB-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.57
Rot. Bonds3

About N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide

N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide (PubChem CID 52791897) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide
PubChem CID52791897
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc(S(N)(=O)=O)cc2C)c(C)c1
InChIInChI=1S/C14H16N2O3S2/c1-8-4-5-11(9(2)6-8)16-14(17)13-10(3)7-12(20-13)21(15,18)19/h4-7H,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeySHWPQKOOYVBYIB-UHFFFAOYSA-N
XLogP2.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
3-methyl-5-sulfamoylthiophene-2-carboxamide
CID 130619284
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
methyl 2-amino-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 694717
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
CID 167944439
N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
CID 6503076
N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465560
N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502748

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide (CID 52791897) is N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2sc(S(N)(=O)=O)cc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide?
The InChIKey is SHWPQKOOYVBYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-8-4-5-11(9(2)6-8)16-14(17)13-10(3)7-12(20-13)21(15,18)19/h4-7H,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide?
N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-methyl-5-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 52791897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).