1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea

C10H15N3O4S — CID 47425131

IUPAC1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea
SMILESCCNC(=O)NNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H15N3O4S/c1-3-11-10(14)12-13-18(15,16)9-6-4-8(17-2)5-7-9/h4-7,13H,3H2,1-2H3,(H2,11,12,14)
InChIKeyUPAWOLWCTCWVSZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.21
Rot. Bonds5

About 1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea

1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea (PubChem CID 47425131) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea.

Molecular Properties

Compound Name1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea
PubChem CID47425131
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea
SMILESCCNC(=O)NNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H15N3O4S/c1-3-11-10(14)12-13-18(15,16)9-6-4-8(17-2)5-7-9/h4-7,13H,3H2,1-2H3,(H2,11,12,14)
InChIKeyUPAWOLWCTCWVSZ-UHFFFAOYSA-N
XLogP0.21
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide
CID 8614556
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 9185408
N-[4-[[(4-methoxybenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 3390773
N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide
CID 2204943
N'-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)acetohydrazide
CID 7974521
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide
CID 94217640
butyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 132577582

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea?
The IUPAC name of 1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea (CID 47425131) is 1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea.
What is the SMILES notation for 1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea?
The canonical SMILES for 1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea is CCNC(=O)NNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea?
The InChIKey is UPAWOLWCTCWVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-3-11-10(14)12-13-18(15,16)9-6-4-8(17-2)5-7-9/h4-7,13H,3H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea?
1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea has a molecular weight of 273.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea is sourced from PubChem (CID 47425131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).