1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea

C14H13N3O5S — CID 57185381

IUPAC1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea
SMILESCSOc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H13N3O5S/c1-23-22-13-5-3-2-4-11(13)16-14(19)15-10-7-6-9(17(20)21)8-12(10)18/h2-8,18H,1H3,(H2,15,16,19)
InChIKeyDKDUXCQCVSVYFX-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea

1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea (PubChem CID 57185381) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea
PubChem CID57185381
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea
SMILESCSOc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H13N3O5S/c1-23-22-13-5-3-2-4-11(13)16-14(19)15-10-7-6-9(17(20)21)8-12(10)18/h2-8,18H,1H3,(H2,15,16,19)
InChIKeyDKDUXCQCVSVYFX-UHFFFAOYSA-N
XLogP3.60
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
1-(2-hydroxy-4-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 157365653
1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide
CID 21184645
2-[(2-methoxyphenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16776347
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108798714
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 46226805
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 7285095

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea?
The IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea (CID 57185381) is 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea is CSOc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea?
The InChIKey is DKDUXCQCVSVYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-23-22-13-5-3-2-4-11(13)16-14(19)15-10-7-6-9(17(20)21)8-12(10)18/h2-8,18H,1H3,(H2,15,16,19).
What are the key properties of 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea?
1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea has a molecular weight of 335.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea is sourced from PubChem (CID 57185381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).