2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide

C20H23ClN2O5S — CID 24978744

IUPAC2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H23ClN2O5S/c1-22(9-14-28-16-5-3-2-4-6-16)20(24)18-15-17(7-8-19(18)21)29(25,26)23-10-12-27-13-11-23/h2-8,15H,9-14H2,1H3
InChIKeyDTXDOVWOBGRUER-UHFFFAOYSA-N
MW438.93 g/mol
LogP2.51
Rot. Bonds7

About 2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide

2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide (PubChem CID 24978744) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
PubChem CID24978744
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Name2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H23ClN2O5S/c1-22(9-14-28-16-5-3-2-4-6-16)20(24)18-15-17(7-8-19(18)21)29(25,26)23-10-12-27-13-11-23/h2-8,15H,9-14H2,1H3
InChIKeyDTXDOVWOBGRUER-UHFFFAOYSA-N
XLogP2.51
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide (CID 24978744) is 2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is DTXDOVWOBGRUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-22(9-14-28-16-5-3-2-4-6-16)20(24)18-15-17(7-8-19(18)21)29(25,26)23-10-12-27-13-11-23/h2-8,15H,9-14H2,1H3.
What are the key properties of 2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 438.93 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 24978744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).