1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea

C14H17N3O3S2 — CID 2812478

IUPAC1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1cccs1
InChIInChI=1S/C14H17N3O3S2/c1-10-6-7-11(22(19,20)17(2)3)9-12(10)15-14(18)16-13-5-4-8-21-13/h4-9H,1-3H3,(H2,15,16,18)
InChIKeyPQBFGYKQERZEKB-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds4

About 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea

1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea (PubChem CID 2812478) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea
PubChem CID2812478
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1cccs1
InChIInChI=1S/C14H17N3O3S2/c1-10-6-7-11(22(19,20)17(2)3)9-12(10)15-14(18)16-13-5-4-8-21-13/h4-9H,1-3H3,(H2,15,16,18)
InChIKeyPQBFGYKQERZEKB-UHFFFAOYSA-N
XLogP2.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea (CID 2812478) is 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1cccs1.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea?
The InChIKey is PQBFGYKQERZEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-10-6-7-11(22(19,20)17(2)3)9-12(10)15-14(18)16-13-5-4-8-21-13/h4-9H,1-3H3,(H2,15,16,18).
What are the key properties of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea?
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea has a molecular weight of 339.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 2812478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).