1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea

C13H15N3O3S2 — CID 134114948

IUPAC1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea
SMILESCN(C)c1ccc(NC(=O)NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-16(2)11-7-5-10(6-8-11)14-13(17)15-21(18,19)12-4-3-9-20-12/h3-9H,1-2H3,(H2,14,15,17)
InChIKeyMIDPJHUYKNLYID-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.32
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea

1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea (PubChem CID 134114948) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea
PubChem CID134114948
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea
SMILESCN(C)c1ccc(NC(=O)NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-16(2)11-7-5-10(6-8-11)14-13(17)15-21(18,19)12-4-3-9-20-12/h3-9H,1-2H3,(H2,14,15,17)
InChIKeyMIDPJHUYKNLYID-UHFFFAOYSA-N
XLogP2.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea
CID 19089331
1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea
CID 95560374
thiophen-2-ylsulfonylurea;urea
CID 19065180
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
N-thiophen-2-ylsulfonylprop-2-enamide
CID 139972027
N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide
CID 15097317
1-[3-fluoro-4-[1-hydroxy-6-(methylamino)-3-oxoisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea
CID 91095648
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-[4-(dimethylamino)phenyl]-3-ethenylurea
CID 108909228

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea (CID 134114948) is 1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea is CN(C)c1ccc(NC(=O)NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea?
The InChIKey is MIDPJHUYKNLYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-16(2)11-7-5-10(6-8-11)14-13(17)15-21(18,19)12-4-3-9-20-12/h3-9H,1-2H3,(H2,14,15,17).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea?
1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea has a molecular weight of 325.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea is sourced from PubChem (CID 134114948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).