1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea

C18H23N3O4S — CID 108883825

IUPAC1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESCc1ccccc1OCCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H23N3O4S/c1-14-5-2-3-6-17(14)25-12-4-11-20-18(22)21-13-15-7-9-16(10-8-15)26(19,23)24/h2-3,5-10H,4,11-13H2,1H3,(H2,19,23,24)(H2,20,21,22)
InChIKeyATDJWVFSPZQFRS-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.91
Rot. Bonds8

About 1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea

1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 108883825) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID108883825
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESCc1ccccc1OCCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H23N3O4S/c1-14-5-2-3-6-17(14)25-12-4-11-20-18(22)21-13-15-7-9-16(10-8-15)26(19,23)24/h2-3,5-10H,4,11-13H2,1H3,(H2,19,23,24)(H2,20,21,22)
InChIKeyATDJWVFSPZQFRS-UHFFFAOYSA-N
XLogP1.91
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 110674272
4-[(4-sulfamoylphenyl)methylcarbamoylamino]butanoic acid
CID 61183507
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883809
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 171130212
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 108759083
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382
1-[2-(2-ethylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 112971654
1-amino-N-[3-(2-methylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317018

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea (CID 108883825) is 1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea is Cc1ccccc1OCCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is ATDJWVFSPZQFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-14-5-2-3-6-17(14)25-12-4-11-20-18(22)21-13-15-7-9-16(10-8-15)26(19,23)24/h2-3,5-10H,4,11-13H2,1H3,(H2,19,23,24)(H2,20,21,22).
What are the key properties of 1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea?
1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea has a molecular weight of 377.47 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 108883825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).