1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea

C12H12N2O4S2 — CID 95560374

IUPAC1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea
SMILESCOc1cccc(NC(=O)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H12N2O4S2/c1-18-10-5-2-4-9(8-10)13-12(15)14-20(16,17)11-6-3-7-19-11/h2-8H,1H3,(H2,13,14,15)
InChIKeyXKSXNGLCVUMBFB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.27
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea

1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea (PubChem CID 95560374) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea
PubChem CID95560374
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea
SMILESCOc1cccc(NC(=O)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H12N2O4S2/c1-18-10-5-2-4-9(8-10)13-12(15)14-20(16,17)11-6-3-7-19-11/h2-8H,1H3,(H2,13,14,15)
InChIKeyXKSXNGLCVUMBFB-UHFFFAOYSA-N
XLogP2.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628378
1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea
CID 134114948
(2S)-N-(3-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 8745319
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2402847
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea?
The IUPAC name of 1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea (CID 95560374) is 1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea is COc1cccc(NC(=O)NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea?
The InChIKey is XKSXNGLCVUMBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-18-10-5-2-4-9(8-10)13-12(15)14-20(16,17)11-6-3-7-19-11/h2-8H,1H3,(H2,13,14,15).
What are the key properties of 1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea?
1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea has a molecular weight of 312.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea is sourced from PubChem (CID 95560374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).