1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea

C22H23N5O4S — CID 52504623

IUPAC1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H23N5O4S/c1-15(24-21(28)26-19-11-13-20(14-12-19)32(23,30)31)16-7-9-18(10-8-16)27-22(29)25-17-5-3-2-4-6-17/h2-15H,1H3,(H2,23,30,31)(H2,24,26,28)(H2,25,27,29)/t15-/m1/s1
InChIKeyVJKJSCGQLCGSOR-OAHLLOKOSA-N
MW453.52 g/mol
LogP3.86
Rot. Bonds6

About 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea

1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea (PubChem CID 52504623) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
PubChem CID52504623
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC Name1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H23N5O4S/c1-15(24-21(28)26-19-11-13-20(14-12-19)32(23,30)31)16-7-9-18(10-8-16)27-22(29)25-17-5-3-2-4-6-17/h2-15H,1H3,(H2,23,30,31)(H2,24,26,28)(H2,25,27,29)/t15-/m1/s1
InChIKeyVJKJSCGQLCGSOR-OAHLLOKOSA-N
XLogP3.86
TPSA142.42 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea with MolForge

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Related Compounds

1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
1-[4-[benzyl(methyl)amino]phenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 60543342
1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 51944392
1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 51945151
1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 24612359
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-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696466
1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55746519
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea (CID 52504623) is 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea is C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea?
The InChIKey is VJKJSCGQLCGSOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-15(24-21(28)26-19-11-13-20(14-12-19)32(23,30)31)16-7-9-18(10-8-16)27-22(29)25-17-5-3-2-4-6-17/h2-15H,1H3,(H2,23,30,31)(H2,24,26,28)(H2,25,27,29)/t15-/m1/s1.
What are the key properties of 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea?
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea has a molecular weight of 453.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea is sourced from PubChem (CID 52504623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).