1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea

C18H24Cl2N2O5S — CID 129315986

IUPAC1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea
SMILESCCOCC(C)(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCC=C2Cl)c1O
InChIInChI=1S/C18H24Cl2N2O5S/c1-4-27-10-18(2,3)28(25,26)16-12(20)8-9-14(15(16)23)22-17(24)21-13-7-5-6-11(13)19/h6,8-9,13,23H,4-5,7,10H2,1-3H3,(H2,21,22,24)
InChIKeyAUQZENTVBAUCFA-UHFFFAOYSA-N
MW451.37 g/mol
LogP4.04
Rot. Bonds7

About 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea

1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea (PubChem CID 129315986) has the molecular formula C18H24Cl2N2O5S and a molecular weight of 451.37 g/mol. Its IUPAC name is 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea.

Molecular Properties

Compound Name1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea
PubChem CID129315986
Molecular FormulaC18H24Cl2N2O5S
Molecular Weight451.37 g/mol
Exact Mass450.08
IUPAC Name1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea
SMILESCCOCC(C)(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCC=C2Cl)c1O
InChIInChI=1S/C18H24Cl2N2O5S/c1-4-27-10-18(2,3)28(25,26)16-12(20)8-9-14(15(16)23)22-17(24)21-13-7-5-6-11(13)19/h6,8-9,13,23H,4-5,7,10H2,1-3H3,(H2,21,22,24)
InChIKeyAUQZENTVBAUCFA-UHFFFAOYSA-N
XLogP4.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]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-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1,1-difluoroethylsulfonyl)-2-hydroxyphenyl]urea
CID 123701572
1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-2-hydroxy-3-(oxan-4-ylsulfonyl)phenyl]urea
CID 118554756
1-(3-tert-butylsulfonyl-4-cyano-2-hydroxyphenyl)-3-[(1R)-2-chlorocyclopent-2-en-1-yl]urea
CID 129315963
1-[(1R)-2-chlorocyclopent-2-en-1-yl]-3-[4-chloro-2-hydroxy-3-(3-pyrrolidin-1-ylcyclobutyl)sulfonylphenyl]urea
CID 129316070
1-[4-chloro-2-hydroxy-3-(3-hydroxycyclobutyl)sulfonylphenyl]-3-[(1R)-2-methylcyclopent-2-en-1-yl]urea
CID 144967279
1-(4-chloro-2-hydroxy-3-piperidin-1-ylsulfonylphenyl)-3-[(1R)-2-methylcyclopent-2-en-1-yl]urea
CID 118554793
1-(4-chloro-2-hydroxy-3-morpholin-4-ylsulfonylphenyl)-3-(2-methylcyclopent-2-en-1-yl)urea
CID 118554797
1-[4-chloro-3-[3-(difluoromethyl)cyclobutyl]sulfonyl-2-hydroxyphenyl]-3-(2-methylcyclopent-2-en-1-yl)urea
CID 123246393
1-[4-chloro-2-hydroxy-3-(3-methyloxolan-3-yl)sulfonylphenyl]-3-[(1R)-2-methylcyclopent-2-en-1-yl]urea
CID 118540528
1-[4-chloro-2-hydroxy-3-(1-pyridin-2-ylethylsulfonyl)phenyl]-3-(2-methylcyclopent-2-en-1-yl)urea
CID 123814705
1-[4-chloro-3-[1-(2,2-difluoroethyl)piperidin-4-yl]sulfonyl-2-hydroxyphenyl]-3-(2-methylcyclopent-2-en-1-yl)urea
CID 123888434
1-(4-chloro-3-ethylsulfonyl-2-hydroxyphenyl)-3-[(7S)-4,5,6,7-tetrahydro-1-benzofuran-7-yl]urea
CID 155249112

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea?
The IUPAC name of 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea (CID 129315986) is 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea.
What is the SMILES notation for 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea?
The canonical SMILES for 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea is CCOCC(C)(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCC=C2Cl)c1O.
What is the InChIKey of 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea?
The InChIKey is AUQZENTVBAUCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O5S/c1-4-27-10-18(2,3)28(25,26)16-12(20)8-9-14(15(16)23)22-17(24)21-13-7-5-6-11(13)19/h6,8-9,13,23H,4-5,7,10H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea?
1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea has a molecular weight of 451.37 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclopent-2-en-1-yl)-3-[4-chloro-3-(1-ethoxy-2-methylpropan-2-yl)sulfonyl-2-hydroxyphenyl]urea is sourced from PubChem (CID 129315986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).