4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide

C32H41N5O4S — CID 10054165

IUPAC4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide
SMILESO=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
InChIInChI=1S/C32H41N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,23,25,31,34-35,38H,1-2,4-7,17,19-22,24H2/t31-/m0/s1
InChIKeyRMGMDUBCJBBNJO-HKBQPEDESA-N
MW591.78 g/mol
LogP4.96
Rot. Bonds14

About 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide

4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide (PubChem CID 10054165) has the molecular formula C32H41N5O4S and a molecular weight of 591.78 g/mol. Its IUPAC name is 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide
PubChem CID10054165
Molecular FormulaC32H41N5O4S
Molecular Weight591.78 g/mol
Exact Mass591.29
IUPAC Name4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide
SMILESO=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
InChIInChI=1S/C32H41N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,23,25,31,34-35,38H,1-2,4-7,17,19-22,24H2/t31-/m0/s1
InChIKeyRMGMDUBCJBBNJO-HKBQPEDESA-N
XLogP4.96
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.78
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide (CID 10054165) is 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide is O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1.
What is the InChIKey of 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide?
The InChIKey is RMGMDUBCJBBNJO-HKBQPEDESA-N. The full InChI is InChI=1S/C32H41N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,23,25,31,34-35,38H,1-2,4-7,17,19-22,24H2/t31-/m0/s1.
What are the key properties of 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide?
4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide has a molecular weight of 591.78 g/mol, XLogP of 4.96, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-cyclopentylpropyl)-2-oxoimidazolidin-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 10054165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).