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

C17H21N3O4S — CID 108881255

IUPAC1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
SMILESCc1ccc(OCCCNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O4S/c1-13-3-7-15(8-4-13)24-12-2-11-19-17(21)20-14-5-9-16(10-6-14)25(18,22)23/h3-10H,2,11-12H2,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeySJYHJZRYDPWPPL-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.23
Rot. Bonds7

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

1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 108881255) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
PubChem CID108881255
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
SMILESCc1ccc(OCCCNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O4S/c1-13-3-7-15(8-4-13)24-12-2-11-19-17(21)20-14-5-9-16(10-6-14)25(18,22)23/h3-10H,2,11-12H2,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeySJYHJZRYDPWPPL-UHFFFAOYSA-N
XLogP2.23
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.23
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-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
tert-butyl N-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]carbamate
CID 122420497
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea
CID 102277551
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-methylphenoxy)propyl]urea
CID 108881416
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3887090
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea (CID 108881255) is 1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea is Cc1ccc(OCCCNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is SJYHJZRYDPWPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-13-3-7-15(8-4-13)24-12-2-11-19-17(21)20-14-5-9-16(10-6-14)25(18,22)23/h3-10H,2,11-12H2,1H3,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea?
1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 363.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 108881255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).