1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea

C16H19N3O4S — CID 971008

IUPAC1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-3-23-14-8-4-12(5-9-14)18-16(20)19-13-6-10-15(11-7-13)24(21,22)17-2/h4-11,17H,3H2,1-2H3,(H2,18,19,20)
InChIKeyBDZRHIJDTYQMFQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.64
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea

1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea (PubChem CID 971008) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
PubChem CID971008
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-3-23-14-8-4-12(5-9-14)18-16(20)19-13-6-10-15(11-7-13)24(21,22)17-2/h4-11,17H,3H2,1-2H3,(H2,18,19,20)
InChIKeyBDZRHIJDTYQMFQ-UHFFFAOYSA-N
XLogP2.64
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
N-[4-(4-ethoxyphenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55363172
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 9219673
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea (CID 971008) is 1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea is CCOc1ccc(NC(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea?
The InChIKey is BDZRHIJDTYQMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-23-14-8-4-12(5-9-14)18-16(20)19-13-6-10-15(11-7-13)24(21,22)17-2/h4-11,17H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea?
1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea has a molecular weight of 349.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea is sourced from PubChem (CID 971008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).