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

C23H28ClN3O5S — CID 46349202

IUPACN-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCc1ccccc1Cl)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H28ClN3O5S/c24-20-4-2-1-3-18(20)7-8-25-23(28)19-5-6-21(26-9-13-31-14-10-26)22(17-19)33(29,30)27-11-15-32-16-12-27/h1-6,17H,7-16H2,(H,25,28)
InChIKeyCDNOENLIWQEOTN-UHFFFAOYSA-N
MW494.01 g/mol
LogP2.17
Rot. Bonds7

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

N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 46349202) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID46349202
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCc1ccccc1Cl)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H28ClN3O5S/c24-20-4-2-1-3-18(20)7-8-25-23(28)19-5-6-21(26-9-13-31-14-10-26)22(17-19)33(29,30)27-11-15-32-16-12-27/h1-6,17H,7-16H2,(H,25,28)
InChIKeyCDNOENLIWQEOTN-UHFFFAOYSA-N
XLogP2.17
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 46349179
N-[2-(1H-indol-3-yl)ethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349257
3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 30873246
N-(3-phenylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349231
4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7150357
4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 39316541
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956683
N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60583878
N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 39709211
N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55971836
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2109484

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide (CID 46349202) is N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide is O=C(NCCc1ccccc1Cl)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CDNOENLIWQEOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c24-20-4-2-1-3-18(20)7-8-25-23(28)19-5-6-21(26-9-13-31-14-10-26)22(17-19)33(29,30)27-11-15-32-16-12-27/h1-6,17H,7-16H2,(H,25,28).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 494.01 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46349202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).