N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C20H23ClN2O5S — CID 2161742

IUPACN-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23ClN2O5S/c1-27-18-7-4-16(14-19(18)29(25,26)23-10-12-28-13-11-23)20(24)22-9-8-15-2-5-17(21)6-3-15/h2-7,14H,8-13H2,1H3,(H,22,24)
InChIKeyRETBIWPWIWTCGR-UHFFFAOYSA-N
MW438.93 g/mol
LogP2.34
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2161742) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2161742
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23ClN2O5S/c1-27-18-7-4-16(14-19(18)29(25,26)23-10-12-28-13-11-23)20(24)22-9-8-15-2-5-17(21)6-3-15/h2-7,14H,8-13H2,1H3,(H,22,24)
InChIKeyRETBIWPWIWTCGR-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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Related Compounds

4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26796023
4-methoxy-3-piperidin-1-ylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 100795466
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30146034
N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide
CID 30126350
4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55656696
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2109484
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55948159
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide
CID 43875221

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 2161742) is N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RETBIWPWIWTCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-27-18-7-4-16(14-19(18)29(25,26)23-10-12-28-13-11-23)20(24)22-9-8-15-2-5-17(21)6-3-15/h2-7,14H,8-13H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide 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 N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2161742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).