3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid

C32H36N2O6S — CID 58292072

IUPAC3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC(C(=O)N4CCOCC4c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C32H36N2O6S/c35-31(36)19-8-23-6-9-24(10-7-23)25-13-17-29(18-14-25)41(38,39)33-28-15-11-27(12-16-28)32(37)34-20-21-40-22-30(34)26-4-2-1-3-5-26/h1-7,9-10,13-14,17-18,27-28,30,33H,8,11-12,15-16,19-22H2,(H,35,36)
InChIKeyIKVRNMMVIWKZCS-UHFFFAOYSA-N
MW576.72 g/mol
LogP4.81
Rot. Bonds9

About 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid

3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid (PubChem CID 58292072) has the molecular formula C32H36N2O6S and a molecular weight of 576.72 g/mol. Its IUPAC name is 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid
PubChem CID58292072
Molecular FormulaC32H36N2O6S
Molecular Weight576.72 g/mol
Exact Mass576.23
IUPAC Name3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC(C(=O)N4CCOCC4c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C32H36N2O6S/c35-31(36)19-8-23-6-9-24(10-7-23)25-13-17-29(18-14-25)41(38,39)33-28-15-11-27(12-16-28)32(37)34-20-21-40-22-30(34)26-4-2-1-3-5-26/h1-7,9-10,13-14,17-18,27-28,30,33H,8,11-12,15-16,19-22H2,(H,35,36)
InChIKeyIKVRNMMVIWKZCS-UHFFFAOYSA-N
XLogP4.81
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.72
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid with MolForge

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Related Compounds

3-[4-[1-methyl-6-[[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoic acid
CID 66710234
3-[4-[3-chloro-6-[[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]-1-methylindol-2-yl]phenyl]propanoic acid
CID 66710091
3-[4-[6-[[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]cyclohexyl]sulfamoyl]-1-methylindol-2-yl]phenyl]propanoic acid
CID 90096418
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
ethyl 4-[4-[[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]benzoate
CID 77478338
3-[4-[1-methyl-6-[[4-(piperidine-1-carbonyl)cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoic acid
CID 90096482
4-(1,3-oxazol-4-yl)-N-[4-(2-phenylpiperazine-1-carbonyl)cyclohexyl]benzenesulfonamide
CID 71290294
methyl 3-[4-[2-[2-(methylamino)-4-[[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]sulfamoyl]phenyl]ethynyl]phenyl]propanoate
CID 66709969
N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide
CID 58292002
N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096545
2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide
CID 90096575
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid (CID 58292072) is 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid is O=C(O)CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC(C(=O)N4CCOCC4c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid?
The InChIKey is IKVRNMMVIWKZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O6S/c35-31(36)19-8-23-6-9-24(10-7-23)25-13-17-29(18-14-25)41(38,39)33-28-15-11-27(12-16-28)32(37)34-20-21-40-22-30(34)26-4-2-1-3-5-26/h1-7,9-10,13-14,17-18,27-28,30,33H,8,11-12,15-16,19-22H2,(H,35,36).
What are the key properties of 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid?
3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid has a molecular weight of 576.72 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid is sourced from PubChem (CID 58292072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).