(E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

C25H27N3O5S — CID 154636041

IUPAC(E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccn(S(=O)(=O)c2c(OCCN3CCCC3)cccc2-c2ccccc2)c1)NO
InChIInChI=1S/C25H27N3O5S/c29-24(26-30)12-11-20-13-16-28(19-20)34(31,32)25-22(21-7-2-1-3-8-21)9-6-10-23(25)33-18-17-27-14-4-5-15-27/h1-3,6-13,16,19,30H,4-5,14-15,17-18H2,(H,26,29)/b12-11+
InChIKeyCRGXOVJNSGNEKI-VAWYXSNFSA-N
MW481.57 g/mol
LogP3.39
Rot. Bonds9

About (E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide (PubChem CID 154636041) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
PubChem CID154636041
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name(E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccn(S(=O)(=O)c2c(OCCN3CCCC3)cccc2-c2ccccc2)c1)NO
InChIInChI=1S/C25H27N3O5S/c29-24(26-30)12-11-20-13-16-28(19-20)34(31,32)25-22(21-7-2-1-3-8-21)9-6-10-23(25)33-18-17-27-14-4-5-15-27/h1-3,6-13,16,19,30H,4-5,14-15,17-18H2,(H,26,29)/b12-11+
InChIKeyCRGXOVJNSGNEKI-VAWYXSNFSA-N
XLogP3.39
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide
CID 154636018
(E)-N-hydroxy-3-[1-[2-(3-morpholin-4-ylpropoxy)-5-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87524728
(E)-N-hydroxy-3-[1-[1-[4-phenyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]prop-2-enylsulfonyl]pyrrol-3-yl]prop-2-enamide
CID 174675175
(E)-N-hydroxy-3-[1-[2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87525227
(E)-3-[1-(2-acetamido-6-phenylphenyl)sulfonylpyrrol-3-yl]-N-(2-aminophenyl)prop-2-enamide
CID 154636029
N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 73215008
N-hydroxy-3-[1-[4-[1-(2-piperidin-1-ylethyl)triazol-4-yl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 90867690
(E)-N-hydroxy-3-[1-[2-[(4-methylpiperazin-1-yl)methyl]-5-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87485473
(E)-N-(2-aminophenyl)-3-[1-[4-phenyl-1-(2-pyrrolidin-1-ylethoxy)cyclohexa-2,4-dien-1-yl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87865374
N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 73215108
N-hydroxy-3-[1-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 73214960
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide (CID 154636041) is (E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide is O=C(/C=C/c1ccn(S(=O)(=O)c2c(OCCN3CCCC3)cccc2-c2ccccc2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The InChIKey is CRGXOVJNSGNEKI-VAWYXSNFSA-N. The full InChI is InChI=1S/C25H27N3O5S/c29-24(26-30)12-11-20-13-16-28(19-20)34(31,32)25-22(21-7-2-1-3-8-21)9-6-10-23(25)33-18-17-27-14-4-5-15-27/h1-3,6-13,16,19,30H,4-5,14-15,17-18H2,(H,26,29)/b12-11+.
What are the key properties of (E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide has a molecular weight of 481.57 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide is sourced from PubChem (CID 154636041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).