1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea

C12H17N3O3S — CID 108914242

IUPAC1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea
SMILESCC/C(C)=C/NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H17N3O3S/c1-3-9(2)8-14-12(16)15-10-4-6-11(7-5-10)19(13,17)18/h4-8H,3H2,1-2H3,(H2,13,17,18)(H2,14,15,16)/b9-8+
InChIKeyWUYUIWFXCNSGFR-CMDGGOBGSA-N
MW283.35 g/mol
LogP1.77
Rot. Bonds4

About 1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea

1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 108914242) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea
PubChem CID108914242
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea
SMILESCC/C(C)=C/NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H17N3O3S/c1-3-9(2)8-14-12(16)15-10-4-6-11(7-5-10)19(13,17)18/h4-8H,3H2,1-2H3,(H2,13,17,18)(H2,14,15,16)/b9-8+
InChIKeyWUYUIWFXCNSGFR-CMDGGOBGSA-N
XLogP1.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
CID 146027008
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate
CID 175278982
1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914314
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
4-[[(E)-but-1-enyl]carbamoylamino]benzenesulfonic acid
CID 108910506
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea
CID 47120702
N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
CID 3595344
2-[[(4-sulfamoylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219240
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea (CID 108914242) is 1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea is CC/C(C)=C/NC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is WUYUIWFXCNSGFR-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-9(2)8-14-12(16)15-10-4-6-11(7-5-10)19(13,17)18/h4-8H,3H2,1-2H3,(H2,13,17,18)(H2,14,15,16)/b9-8+.
What are the key properties of 1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea?
1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 283.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 108914242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).