1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

C15H23N3O3S — CID 108915064

IUPAC1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C
InChIInChI=1S/C15H23N3O3S/c1-11(15(2,3)4)9-17-14(19)18-10-12-5-7-13(8-6-12)22(16,20)21/h5-9H,10H2,1-4H3,(H2,16,20,21)(H2,17,18,19)/b11-9+
InChIKeyBJRSZYGZXMABGU-PKNBQFBNSA-N
MW325.43 g/mol
LogP2.08
Rot. Bonds4

About 1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (PubChem CID 108915064) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
PubChem CID108915064
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C
InChIInChI=1S/C15H23N3O3S/c1-11(15(2,3)4)9-17-14(19)18-10-12-5-7-13(8-6-12)22(16,20)21/h5-9H,10H2,1-4H3,(H2,16,20,21)(H2,17,18,19)/b11-9+
InChIKeyBJRSZYGZXMABGU-PKNBQFBNSA-N
XLogP2.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
2-methyl-2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 62834122
(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 61148344
2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoic acid
CID 3655603
(2S)-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoic acid
CID 939163
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60850763
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108908056
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
1-(2,3,4,5,6-pentafluorophenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 11269442
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284

Frequently Asked Questions

What is the IUPAC name of 1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The IUPAC name of 1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (CID 108915064) is 1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.
What is the SMILES notation for 1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The canonical SMILES for 1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is C/C(=C\NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C.
What is the InChIKey of 1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The InChIKey is BJRSZYGZXMABGU-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11(15(2,3)4)9-17-14(19)18-10-12-5-7-13(8-6-12)22(16,20)21/h5-9H,10H2,1-4H3,(H2,16,20,21)(H2,17,18,19)/b11-9+.
What are the key properties of 1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea has a molecular weight of 325.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-sulfamoylphenyl)methyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is sourced from PubChem (CID 108915064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).