(E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide

C27H35N3O6S2 — CID 146210663

IUPAC(E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide
SMILESC/C=C/S(=O)(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(C(Cc2ccccc2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H35N3O6S2/c1-2-19-37(32,33)28-21-24-9-6-14-30(24)38(34,35)25-12-10-23(11-13-25)26(20-22-7-4-3-5-8-22)27(31)29-15-17-36-18-16-29/h2-5,7-8,10-13,19,24,26,28H,6,9,14-18,20-21H2,1H3/b19-2+/t24-,26?/m1/s1
InChIKeyXIYPNPVWXZUVIK-UVENBCRXSA-N
MW561.73 g/mol
LogP2.48
Rot. Bonds10

About (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide

(E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide (PubChem CID 146210663) has the molecular formula C27H35N3O6S2 and a molecular weight of 561.73 g/mol. Its IUPAC name is (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide
PubChem CID146210663
Molecular FormulaC27H35N3O6S2
Molecular Weight561.73 g/mol
Exact Mass561.20
IUPAC Name(E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide
SMILESC/C=C/S(=O)(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(C(Cc2ccccc2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H35N3O6S2/c1-2-19-37(32,33)28-21-24-9-6-14-30(24)38(34,35)25-12-10-23(11-13-25)26(20-22-7-4-3-5-8-22)27(31)29-15-17-36-18-16-29/h2-5,7-8,10-13,19,24,26,28H,6,9,14-18,20-21H2,1H3/b19-2+/t24-,26?/m1/s1
InChIKeyXIYPNPVWXZUVIK-UVENBCRXSA-N
XLogP2.48
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide with MolForge

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Related Compounds

N-[[(2R)-1-[4-[1-morpholin-4-yl-1-oxo-3-(3,4,5-trifluorophenyl)propan-2-yl]phenyl]sulfonylpyrrolidin-2-yl]methyl]ethenesulfonamide
CID 146211098
N-[[(2R)-1-[4-[1-(4-cyanopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]phenyl]sulfonylpyrrolidin-2-yl]methyl]ethenesulfonamide
CID 146211934
2-[4-[(2R)-2-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-phenylpropanamide
CID 146211410
N-[[(2R)-1-[4-[3-[4-(1,1-difluoroethyl)phenyl]-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]phenyl]sulfonylpyrrolidin-2-yl]methyl]ethenesulfonamide
CID 146212011
4-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]benzenesulfonic acid
CID 142671079
N-[[1-[4-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl]phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-2-sulfonamide
CID 146210515
N-[[1-[4-(1-morpholin-4-yl-1-oxo-3-pyridin-3-ylpropan-2-yl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211195
2-[4-[(5-ethenylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)sulfonyl]phenyl]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 146210622
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 115316524
N-benzyl-2-[4-[(2R)-2-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-(2-methoxyethyl)acetamide
CID 146211323
N-benzyl-2-[4-[(2S)-2-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-(2-methoxyethyl)acetamide
CID 146211339

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide?
The IUPAC name of (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide (CID 146210663) is (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide?
The canonical SMILES for (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide is C/C=C/S(=O)(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(C(Cc2ccccc2)C(=O)N2CCOCC2)cc1.
What is the InChIKey of (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide?
The InChIKey is XIYPNPVWXZUVIK-UVENBCRXSA-N. The full InChI is InChI=1S/C27H35N3O6S2/c1-2-19-37(32,33)28-21-24-9-6-14-30(24)38(34,35)25-12-10-23(11-13-25)26(20-22-7-4-3-5-8-22)27(31)29-15-17-36-18-16-29/h2-5,7-8,10-13,19,24,26,28H,6,9,14-18,20-21H2,1H3/b19-2+/t24-,26?/m1/s1.
What are the key properties of (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide?
(E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide has a molecular weight of 561.73 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[(2R)-1-[4-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methyl]prop-1-ene-1-sulfonamide is sourced from PubChem (CID 146210663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).