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

C19H25N3O3S — CID 51131161

IUPAC1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(CCNC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C19H25N3O3S/c1-15(17-5-3-2-4-6-17)11-13-21-19(23)22-14-12-16-7-9-18(10-8-16)26(20,24)25/h2-10,15H,11-14H2,1H3,(H2,20,24,25)(H2,21,22,23)
InChIKeyYLXCZBRHOBVQQA-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.37
Rot. Bonds8

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

1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 51131161) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID51131161
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(CCNC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C19H25N3O3S/c1-15(17-5-3-2-4-6-17)11-13-21-19(23)22-14-12-16-7-9-18(10-8-16)26(20,24)25/h2-10,15H,11-14H2,1H3,(H2,20,24,25)(H2,21,22,23)
InChIKeyYLXCZBRHOBVQQA-UHFFFAOYSA-N
XLogP2.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
1-(2-methyl-2-phenylpropyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 35664316
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
2-methyl-1-(1-phenylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 110948985
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
1-butyl-3-(3-phenylbutyl)urea
CID 115600283
4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
CID 7998765
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 51131161) is 1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is CC(CCNC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is YLXCZBRHOBVQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15(17-5-3-2-4-6-17)11-13-21-19(23)22-14-12-16-7-9-18(10-8-16)26(20,24)25/h2-10,15H,11-14H2,1H3,(H2,20,24,25)(H2,21,22,23).
What are the key properties of 1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 375.49 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 51131161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).