1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea

C16H18N2O5S — CID 21184626

IUPAC1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C16H18N2O5S/c1-3-24(21,22)13-8-9-15(19)14(10-13)18-16(20)17-11-4-6-12(23-2)7-5-11/h4-10,19H,3H2,1-2H3,(H2,17,18,20)
InChIKeyFCCIJWFRTBQTPE-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.84
Rot. Bonds5

About 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea

1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea (PubChem CID 21184626) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea
PubChem CID21184626
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C16H18N2O5S/c1-3-24(21,22)13-8-9-15(19)14(10-13)18-16(20)17-11-4-6-12(23-2)7-5-11/h4-10,19H,3H2,1-2H3,(H2,17,18,20)
InChIKeyFCCIJWFRTBQTPE-UHFFFAOYSA-N
XLogP2.84
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide
CID 31618396
(2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 25335054
(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552041
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273318
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682
1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea
CID 16659630
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
CID 139743679
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509906

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea (CID 21184626) is 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea is CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea?
The InChIKey is FCCIJWFRTBQTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-3-24(21,22)13-8-9-15(19)14(10-13)18-16(20)17-11-4-6-12(23-2)7-5-11/h4-10,19H,3H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea?
1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea has a molecular weight of 350.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 21184626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).