(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide

C23H31ClN4O5S2 — CID 20580982

IUPAC(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
SMILESO=C1C(NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCCN1CC(=O)N1CC2CC2C1CN1CCOCC1
InChIInChI=1S/C23H31ClN4O5S2/c24-21-4-3-17(34-21)5-11-35(31,32)25-19-2-1-6-27(23(19)30)15-22(29)28-13-16-12-18(16)20(28)14-26-7-9-33-10-8-26/h3-5,11,16,18-20,25H,1-2,6-10,12-15H2/b11-5+
InChIKeyBUHUFBDMODAYPN-VZUCSPMQSA-N
MW543.11 g/mol
LogP1.46
Rot. Bonds8

About (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide

(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide (PubChem CID 20580982) has the molecular formula C23H31ClN4O5S2 and a molecular weight of 543.11 g/mol. Its IUPAC name is (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
PubChem CID20580982
Molecular FormulaC23H31ClN4O5S2
Molecular Weight543.11 g/mol
Exact Mass542.14
IUPAC Name(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
SMILESO=C1C(NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCCN1CC(=O)N1CC2CC2C1CN1CCOCC1
InChIInChI=1S/C23H31ClN4O5S2/c24-21-4-3-17(34-21)5-11-35(31,32)25-19-2-1-6-27(23(19)30)15-22(29)28-13-16-12-18(16)20(28)14-26-7-9-33-10-8-26/h3-5,11,16,18-20,25H,1-2,6-10,12-15H2/b11-5+
InChIKeyBUHUFBDMODAYPN-VZUCSPMQSA-N
XLogP1.46
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.11
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide?
The IUPAC name of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide (CID 20580982) is (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide?
The canonical SMILES for (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide is O=C1C(NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCCN1CC(=O)N1CC2CC2C1CN1CCOCC1.
What is the InChIKey of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide?
The InChIKey is BUHUFBDMODAYPN-VZUCSPMQSA-N. The full InChI is InChI=1S/C23H31ClN4O5S2/c24-21-4-3-17(34-21)5-11-35(31,32)25-19-2-1-6-27(23(19)30)15-22(29)28-13-16-12-18(16)20(28)14-26-7-9-33-10-8-26/h3-5,11,16,18-20,25H,1-2,6-10,12-15H2/b11-5+.
What are the key properties of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide?
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide has a molecular weight of 543.11 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(morpholin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 20580982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).