1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea

C18H20ClN3O5S — CID 110191834

IUPAC1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-11-4-7-15(8-5-11)28(25,26)22-18(24)21-20-17(23)13(3)27-16-9-6-14(19)10-12(16)2/h4-10,13H,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyVOAAJVJPWNKRBD-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.44
Rot. Bonds5

About 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea

1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea (PubChem CID 110191834) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea
PubChem CID110191834
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC Name1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-11-4-7-15(8-5-11)28(25,26)22-18(24)21-20-17(23)13(3)27-16-9-6-14(19)10-12(16)2/h4-10,13H,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyVOAAJVJPWNKRBD-UHFFFAOYSA-N
XLogP2.44
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea 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

(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 14870431
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004
3-[[2-(4-chloro-2-methylphenoxy)propanoylamino]carbamoyl]benzenesulfonic acid
CID 6734153
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2S)-2-(4-chloro-2-methylphenoxy)-N-(1,3-dioxoisoindol-2-yl)propanamide
CID 981918
magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
CID 47494461

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea (CID 110191834) is 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2C)cc1.
What is the InChIKey of 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is VOAAJVJPWNKRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-11-4-7-15(8-5-11)28(25,26)22-18(24)21-20-17(23)13(3)27-16-9-6-14(19)10-12(16)2/h4-10,13H,1-3H3,(H,20,23)(H2,21,22,24).
What are the key properties of 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea?
1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 425.89 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110191834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).