5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide

C20H23ClN2O5S — CID 30125613

IUPAC5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O5S/c1-27-19-7-4-16(21)14-18(19)20(24)22-9-8-15-2-5-17(6-3-15)29(25,26)23-10-12-28-13-11-23/h2-7,14H,8-13H2,1H3,(H,22,24)
InChIKeyFTQXVJCXTCVEKL-UHFFFAOYSA-N
MW438.93 g/mol
LogP2.34
Rot. Bonds7

About 5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide (PubChem CID 30125613) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide
PubChem CID30125613
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Name5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O5S/c1-27-19-7-4-16(21)14-18(19)20(24)22-9-8-15-2-5-17(6-3-15)29(25,26)23-10-12-28-13-11-23/h2-7,14H,8-13H2,1H3,(H,22,24)
InChIKeyFTQXVJCXTCVEKL-UHFFFAOYSA-N
XLogP2.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide (CID 30125613) is 5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide?
The InChIKey is FTQXVJCXTCVEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-27-19-7-4-16(21)14-18(19)20(24)22-9-8-15-2-5-17(6-3-15)29(25,26)23-10-12-28-13-11-23/h2-7,14H,8-13H2,1H3,(H,22,24).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide has a molecular weight of 438.93 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 30125613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).