N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide

C13H14N2O3S2 — CID 2811612

IUPACN-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccsc2)cc1NS(C)(=O)=O
InChIInChI=1S/C13H14N2O3S2/c1-9-3-4-11(7-12(9)15-20(2,17)18)14-13(16)10-5-6-19-8-10/h3-8,15H,1-2H3,(H,14,16)
InChIKeyXOXKVNBJMGTXCY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.68
Rot. Bonds4

About N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide

N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide (PubChem CID 2811612) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide
PubChem CID2811612
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccsc2)cc1NS(C)(=O)=O
InChIInChI=1S/C13H14N2O3S2/c1-9-3-4-11(7-12(9)15-20(2,17)18)14-13(16)10-5-6-19-8-10/h3-8,15H,1-2H3,(H,14,16)
InChIKeyXOXKVNBJMGTXCY-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide (CID 2811612) is N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide is Cc1ccc(NC(=O)c2ccsc2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide?
The InChIKey is XOXKVNBJMGTXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-9-3-4-11(7-12(9)15-20(2,17)18)14-13(16)10-5-6-19-8-10/h3-8,15H,1-2H3,(H,14,16).
What are the key properties of N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide?
N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide is sourced from PubChem (CID 2811612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).