(E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide

C23H32N2O5S — CID 134543324

IUPAC(E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide
SMILESCC(C)(NS(=O)(=O)CC/C=C/C[C@@H]1CCC(=O)NC1=O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C23H32N2O5S/c1-23(2,19-8-6-9-20(15-19)30-16-17-10-11-17)25-31(28,29)14-5-3-4-7-18-12-13-21(26)24-22(18)27/h3-4,6,8-9,15,17-18,25H,5,7,10-14,16H2,1-2H3,(H,24,26,27)/b4-3+/t18-/m1/s1
InChIKeyGMEWROPESXAJAN-OAJJDEHYSA-N
MW448.59 g/mol
LogP3.02
Rot. Bonds11

About (E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide

(E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide (PubChem CID 134543324) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is (E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide
PubChem CID134543324
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name(E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide
SMILESCC(C)(NS(=O)(=O)CC/C=C/C[C@@H]1CCC(=O)NC1=O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C23H32N2O5S/c1-23(2,19-8-6-9-20(15-19)30-16-17-10-11-17)25-31(28,29)14-5-3-4-7-18-12-13-21(26)24-22(18)27/h3-4,6,8-9,15,17-18,25H,5,7,10-14,16H2,1-2H3,(H,24,26,27)/b4-3+/t18-/m1/s1
InChIKeyGMEWROPESXAJAN-OAJJDEHYSA-N
XLogP3.02
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide?
The IUPAC name of (E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide (CID 134543324) is (E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide?
The canonical SMILES for (E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide is CC(C)(NS(=O)(=O)CC/C=C/C[C@@H]1CCC(=O)NC1=O)c1cccc(OCC2CC2)c1.
What is the InChIKey of (E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide?
The InChIKey is GMEWROPESXAJAN-OAJJDEHYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-23(2,19-8-6-9-20(15-19)30-16-17-10-11-17)25-31(28,29)14-5-3-4-7-18-12-13-21(26)24-22(18)27/h3-4,6,8-9,15,17-18,25H,5,7,10-14,16H2,1-2H3,(H,24,26,27)/b4-3+/t18-/m1/s1.
What are the key properties of (E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide?
(E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide has a molecular weight of 448.59 g/mol, XLogP of 3.02, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide is sourced from PubChem (CID 134543324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).