N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide

C15H18N2O3S2 — CID 31506049

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)sc1C
InChIInChI=1S/C15H18N2O3S2/c1-10-8-14(21-11(10)2)15(18)16-12-6-5-7-13(9-12)22(19,20)17(3)4/h5-9H,1-4H3,(H,16,18)
InChIKeyBZIIJYCSSAJTOH-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.87
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 31506049) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID31506049
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)sc1C
InChIInChI=1S/C15H18N2O3S2/c1-10-8-14(21-11(10)2)15(18)16-12-6-5-7-13(9-12)22(19,20)17(3)4/h5-9H,1-4H3,(H,16,18)
InChIKeyBZIIJYCSSAJTOH-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-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841
N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide
CID 78949623
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
CID 65239175
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9371915
N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide
CID 17457217
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide
CID 9093791

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide (CID 31506049) is N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)sc1C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is BZIIJYCSSAJTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-10-8-14(21-11(10)2)15(18)16-12-6-5-7-13(9-12)22(19,20)17(3)4/h5-9H,1-4H3,(H,16,18).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-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)phenyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 31506049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).