1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea

C11H17N3O3S — CID 61131417

IUPAC1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
SMILESCc1ccc(NC(=O)NCCCS(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-9-3-5-10(6-4-9)14-11(15)13-7-2-8-18(12,16)17/h3-6H,2,7-8H2,1H3,(H2,12,16,17)(H2,13,14,15)
InChIKeyKUMBPZVIQIIFCE-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.80
Rot. Bonds5

About 1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea

1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea (PubChem CID 61131417) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
PubChem CID61131417
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
SMILESCc1ccc(NC(=O)NCCCS(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-9-3-5-10(6-4-9)14-11(15)13-7-2-8-18(12,16)17/h3-6H,2,7-8H2,1H3,(H2,12,16,17)(H2,13,14,15)
InChIKeyKUMBPZVIQIIFCE-UHFFFAOYSA-N
XLogP0.80
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61132641
1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea
CID 61131418
1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843
1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
CID 108881255
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
CID 61342170
3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
CID 55070556
1-(4-amino-4-hydroxyiminobutyl)-3-(4-methylphenyl)urea
CID 76953357
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-(5-hydroxy-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 111472686
1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60799942

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea (CID 61131417) is 1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea is Cc1ccc(NC(=O)NCCCS(N)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea?
The InChIKey is KUMBPZVIQIIFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9-3-5-10(6-4-9)14-11(15)13-7-2-8-18(12,16)17/h3-6H,2,7-8H2,1H3,(H2,12,16,17)(H2,13,14,15).
What are the key properties of 1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea?
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea has a molecular weight of 271.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea is sourced from PubChem (CID 61131417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).