1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea

C20H25ClN4O4S2 — CID 4854225

IUPAC1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H25ClN4O4S2/c1-28-11-8-22-20(30)23-17-6-7-18(25-9-12-29-13-10-25)19(14-17)31(26,27)24-16-4-2-15(21)3-5-16/h2-7,14,24H,8-13H2,1H3,(H2,22,23,30)
InChIKeyGOZICDMIRLMSPJ-UHFFFAOYSA-N
MW485.03 g/mol
LogP2.91
Rot. Bonds8

About 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea

1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea (PubChem CID 4854225) has the molecular formula C20H25ClN4O4S2 and a molecular weight of 485.03 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea
PubChem CID4854225
Molecular FormulaC20H25ClN4O4S2
Molecular Weight485.03 g/mol
Exact Mass484.10
IUPAC Name1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H25ClN4O4S2/c1-28-11-8-22-20(30)23-17-6-7-18(25-9-12-29-13-10-25)19(14-17)31(26,27)24-16-4-2-15(21)3-5-16/h2-7,14,24H,8-13H2,1H3,(H2,22,23,30)
InChIKeyGOZICDMIRLMSPJ-UHFFFAOYSA-N
XLogP2.91
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea 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

5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate
CID 4072808
1-[5-[(4-Chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 3578672
1-[3-[(2-Chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-prop-2-enylthiourea
CID 3635236
N-[[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamothioyl]acetamide
CID 4308297
N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
CID 4424826
1-[4-Chloro-3-(4-morpholinylsulfonyl)phenyl]-3-phenylurea
CID 5128497
(2S)-2-(carbamoylamino)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
CID 16248806
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide
CID 4173641
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-4-methylpiperazine-1-carbothioamide
CID 4194678
1-(2-Chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2-morpholin-4-ylphenyl)thiourea
CID 3317823
1-(4-Chloro-3-morpholin-4-ylsulfonylphenyl)-3-prop-2-enylthiourea
CID 3909699

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea (CID 4854225) is 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea is COCCNC(=S)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea?
The InChIKey is GOZICDMIRLMSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S2/c1-28-11-8-22-20(30)23-17-6-7-18(25-9-12-29-13-10-25)19(14-17)31(26,27)24-16-4-2-15(21)3-5-16/h2-7,14,24H,8-13H2,1H3,(H2,22,23,30).
What are the key properties of 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea?
1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea has a molecular weight of 485.03 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 4854225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).