1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea

C18H23N3O3S — CID 127045090

IUPAC1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea
SMILESC[C@@H](NC(=O)NCCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-14(16-7-3-2-4-8-16)21-18(22)20-13-5-6-15-9-11-17(12-10-15)25(19,23)24/h2-4,7-12,14H,5-6,13H2,1H3,(H2,19,23,24)(H2,20,21,22)/t14-/m1/s1
InChIKeyMDFQFFUNJMSZCU-CQSZACIVSA-N
MW361.47 g/mol
LogP2.33
Rot. Bonds7

About 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea

1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea (PubChem CID 127045090) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea
PubChem CID127045090
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea
SMILESC[C@@H](NC(=O)NCCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-14(16-7-3-2-4-8-16)21-18(22)20-13-5-6-15-9-11-17(12-10-15)25(19,23)24/h2-4,7-12,14H,5-6,13H2,1H3,(H2,19,23,24)(H2,20,21,22)/t14-/m1/s1
InChIKeyMDFQFFUNJMSZCU-CQSZACIVSA-N
XLogP2.33
TPSA101.29 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 ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea (CID 127045090) is 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea is C[C@@H](NC(=O)NCCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea?
The InChIKey is MDFQFFUNJMSZCU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(16-7-3-2-4-8-16)21-18(22)20-13-5-6-15-9-11-17(12-10-15)25(19,23)24/h2-4,7-12,14H,5-6,13H2,1H3,(H2,19,23,24)(H2,20,21,22)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea?
1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea has a molecular weight of 361.47 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea is sourced from PubChem (CID 127045090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).