1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea

C18H23N3O3S — CID 17405433

IUPAC1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-14(2)21-25(23,24)13-16-9-7-6-8-15(16)12-19-18(22)20-17-10-4-3-5-11-17/h3-11,14,21H,12-13H2,1-2H3,(H2,19,20,22)
InChIKeyCWSPUNWTOSDCMD-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.84
Rot. Bonds7

About 1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea

1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea (PubChem CID 17405433) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
PubChem CID17405433
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-14(2)21-25(23,24)13-16-9-7-6-8-15(16)12-19-18(22)20-17-10-4-3-5-11-17/h3-11,14,21H,12-13H2,1-2H3,(H2,19,20,22)
InChIKeyCWSPUNWTOSDCMD-UHFFFAOYSA-N
XLogP2.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 24616463
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24560717
1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 55454864
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
1-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 112807006
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288
2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 18121313

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea (CID 17405433) is 1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The InChIKey is CWSPUNWTOSDCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(2)21-25(23,24)13-16-9-7-6-8-15(16)12-19-18(22)20-17-10-4-3-5-11-17/h3-11,14,21H,12-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea has a molecular weight of 361.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 17405433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).