1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea

C18H23N3O3S — CID 55696372

IUPAC1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(C)c1ccc(NC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-12(2)14-4-8-16(9-5-14)21-18(22)20-13(3)15-6-10-17(11-7-15)25(19,23)24/h4-13H,1-3H3,(H2,19,23,24)(H2,20,21,22)
InChIKeyVPIIGGANKKSVNG-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.34
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea

1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 55696372) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID55696372
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(C)c1ccc(NC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-12(2)14-4-8-16(9-5-14)21-18(22)20-13(3)15-6-10-17(11-7-15)25(19,23)24/h4-13H,1-3H3,(H2,19,23,24)(H2,20,21,22)
InChIKeyVPIIGGANKKSVNG-UHFFFAOYSA-N
XLogP3.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 24612359
1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 51944392
1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696466
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea
CID 47120702
1-[4-[benzyl(methyl)amino]phenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 60543342
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 75811590
1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 51945151
methyl 3-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]butanoate
CID 4680673
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea (CID 55696372) is 1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea is CC(C)c1ccc(NC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is VPIIGGANKKSVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12(2)14-4-8-16(9-5-14)21-18(22)20-13(3)15-6-10-17(11-7-15)25(19,23)24/h4-13H,1-3H3,(H2,19,23,24)(H2,20,21,22).
What are the key properties of 1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 361.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 55696372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).