ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate

C32H37N3O5S — CID 77478338

IUPACethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCC(C(=O)N4CCNCC4c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C32H37N3O5S/c1-2-40-32(37)27-10-8-23(9-11-27)24-14-18-29(19-15-24)41(38,39)34-28-16-12-26(13-17-28)31(36)35-21-20-33-22-30(35)25-6-4-3-5-7-25/h3-11,14-15,18-19,26,28,30,33-34H,2,12-13,16-17,20-22H2,1H3
InChIKeyZSAOVZBYIMGLGE-UHFFFAOYSA-N
MW575.73 g/mol
LogP4.54
Rot. Bonds8

About ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate

ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate (PubChem CID 77478338) has the molecular formula C32H37N3O5S and a molecular weight of 575.73 g/mol. Its IUPAC name is ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate
PubChem CID77478338
Molecular FormulaC32H37N3O5S
Molecular Weight575.73 g/mol
Exact Mass575.25
IUPAC Nameethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCC(C(=O)N4CCNCC4c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C32H37N3O5S/c1-2-40-32(37)27-10-8-23(9-11-27)24-14-18-29(19-15-24)41(38,39)34-28-16-12-26(13-17-28)31(36)35-21-20-33-22-30(35)25-6-4-3-5-7-25/h3-11,14-15,18-19,26,28,30,33-34H,2,12-13,16-17,20-22H2,1H3
InChIKeyZSAOVZBYIMGLGE-UHFFFAOYSA-N
XLogP4.54
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.73
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate 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

3-(ethylamino)-4-methyl-N-[4-[(2S)-2-phenylpiperazine-1-carbonyl]cyclohexyl]benzenesulfonamide
CID 53236702
4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide
CID 71290294
N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-sulfonamide
CID 90216749
N-[4-[(2S)-2-phenylpiperazine-1-carbonyl]cyclohexyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-sulfonamide
CID 90216745
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide
CID 58292002
3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid
CID 58292072
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
CID 114545305
methyl 1-[4-[(4-bromophenyl)sulfonylamino]cyclohexanecarbonyl]-5-phenylpyrrolidine-3-carboxylate
CID 58291842
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
CID 120740686
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
CID 120740299
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate?
The IUPAC name of ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate (CID 77478338) is ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate.
What is the SMILES notation for ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate?
The canonical SMILES for ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate is CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCC(C(=O)N4CCNCC4c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate?
The InChIKey is ZSAOVZBYIMGLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5S/c1-2-40-32(37)27-10-8-23(9-11-27)24-14-18-29(19-15-24)41(38,39)34-28-16-12-26(13-17-28)31(36)35-21-20-33-22-30(35)25-6-4-3-5-7-25/h3-11,14-15,18-19,26,28,30,33-34H,2,12-13,16-17,20-22H2,1H3.
What are the key properties of ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate?
ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate has a molecular weight of 575.73 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate is sourced from PubChem (CID 77478338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).