N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide

C22H27NO4S — CID 175359261

IUPACN-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide
SMILESO=S(=O)(Nc1cccc(/C=C/[C@H](O)CCOc2ccccc2)c1)C1CCCC1
InChIInChI=1S/C22H27NO4S/c24-20(15-16-27-21-9-2-1-3-10-21)14-13-18-7-6-8-19(17-18)23-28(25,26)22-11-4-5-12-22/h1-3,6-10,13-14,17,20,22-24H,4-5,11-12,15-16H2/b14-13+/t20-/m0/s1
InChIKeyWPYSCFBNOLDUTA-AIGDTVQASA-N
MW401.53 g/mol
LogP4.21
Rot. Bonds9

About N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide

N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide (PubChem CID 175359261) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide
PubChem CID175359261
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC NameN-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide
SMILESO=S(=O)(Nc1cccc(/C=C/[C@H](O)CCOc2ccccc2)c1)C1CCCC1
InChIInChI=1S/C22H27NO4S/c24-20(15-16-27-21-9-2-1-3-10-21)14-13-18-7-6-8-19(17-18)23-28(25,26)22-11-4-5-12-22/h1-3,6-10,13-14,17,20,22-24H,4-5,11-12,15-16H2/b14-13+/t20-/m0/s1
InChIKeyWPYSCFBNOLDUTA-AIGDTVQASA-N
XLogP4.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide (CID 175359261) is N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide is O=S(=O)(Nc1cccc(/C=C/[C@H](O)CCOc2ccccc2)c1)C1CCCC1.
What is the InChIKey of N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide?
The InChIKey is WPYSCFBNOLDUTA-AIGDTVQASA-N. The full InChI is InChI=1S/C22H27NO4S/c24-20(15-16-27-21-9-2-1-3-10-21)14-13-18-7-6-8-19(17-18)23-28(25,26)22-11-4-5-12-22/h1-3,6-10,13-14,17,20,22-24H,4-5,11-12,15-16H2/b14-13+/t20-/m0/s1.
What are the key properties of N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide?
N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide has a molecular weight of 401.53 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E,3R)-3-hydroxy-5-phenoxypent-1-enyl]phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 175359261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).