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

C11H17N3O3S — CID 61132641

IUPAC1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
SMILESCc1cccc(NC(=O)NCCCS(N)(=O)=O)c1
InChIInChI=1S/C11H17N3O3S/c1-9-4-2-5-10(8-9)14-11(15)13-6-3-7-18(12,16)17/h2,4-5,8H,3,6-7H2,1H3,(H2,12,16,17)(H2,13,14,15)
InChIKeyFDBCXSZMLZCKRN-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.80
Rot. Bonds5

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

1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea (PubChem CID 61132641) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
PubChem CID61132641
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
SMILESCc1cccc(NC(=O)NCCCS(N)(=O)=O)c1
InChIInChI=1S/C11H17N3O3S/c1-9-4-2-5-10(8-9)14-11(15)13-6-3-7-18(12,16)17/h2,4-5,8H,3,6-7H2,1H3,(H2,12,16,17)(H2,13,14,15)
InChIKeyFDBCXSZMLZCKRN-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-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417
1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea
CID 61131314
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62388737
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea
CID 113283188
1-(2-butoxyethyl)-3-(3-methylphenyl)urea
CID 141077224
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
1-(3-methylphenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]urea
CID 47848806
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea (CID 61132641) is 1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea is Cc1cccc(NC(=O)NCCCS(N)(=O)=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea?
The InChIKey is FDBCXSZMLZCKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9-4-2-5-10(8-9)14-11(15)13-6-3-7-18(12,16)17/h2,4-5,8H,3,6-7H2,1H3,(H2,12,16,17)(H2,13,14,15).
What are the key properties of 1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea?
1-(3-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-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea is sourced from PubChem (CID 61132641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).