N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide

C15H18N2O3S2 — CID 4194680

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H18N2O3S2/c1-10-5-6-12(9-13(10)22(19,20)17(3)4)16-15(18)14-11(2)7-8-21-14/h5-9H,1-4H3,(H,16,18)
InChIKeyABIUWRSVIZSBTM-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.87
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 4194680) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
PubChem CID4194680
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H18N2O3S2/c1-10-5-6-12(9-13(10)22(19,20)17(3)4)16-15(18)14-11(2)7-8-21-14/h5-9H,1-4H3,(H,16,18)
InChIKeyABIUWRSVIZSBTM-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

N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide
CID 2811612
N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2811895
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
4-{[Methyl(3-methylphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 6486034
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
6-Acetamido-2-sulfamoylbenzo[b]thiophene
CID 14390577
2-(4-ethylsulfonylphenyl)-N-[4-[[propyl(thiophen-2-ylmethyl)amino]methyl]phenyl]acetamide
CID 141738566

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide (CID 4194680) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is ABIUWRSVIZSBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-10-5-6-12(9-13(10)22(19,20)17(3)4)16-15(18)14-11(2)7-8-21-14/h5-9H,1-4H3,(H,16,18).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-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-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 4194680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).