2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

C28H32ClN3O5S — CID 98404336

IUPAC2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc([C@H](CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)N2CCOCC2)cc1
InChIInChI=1S/C28H32ClN3O5S/c1-36-25-11-7-23(8-12-25)27(31-15-17-37-18-16-31)19-30-28(33)21-32(20-22-5-3-2-4-6-22)38(34,35)26-13-9-24(29)10-14-26/h2-14,27H,15-21H2,1H3,(H,30,33)/t27-/m0/s1
InChIKeyGBVZXHWPUNYLCI-MHZLTWQESA-N
MW558.10 g/mol
LogP3.73
Rot. Bonds11

About 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 98404336) has the molecular formula C28H32ClN3O5S and a molecular weight of 558.10 g/mol. Its IUPAC name is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID98404336
Molecular FormulaC28H32ClN3O5S
Molecular Weight558.10 g/mol
Exact Mass557.18
IUPAC Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc([C@H](CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)N2CCOCC2)cc1
InChIInChI=1S/C28H32ClN3O5S/c1-36-25-11-7-23(8-12-25)27(31-15-17-37-18-16-31)19-30-28(33)21-32(20-22-5-3-2-4-6-22)38(34,35)26-13-9-24(29)10-14-26/h2-14,27H,15-21H2,1H3,(H,30,33)/t27-/m0/s1
InChIKeyGBVZXHWPUNYLCI-MHZLTWQESA-N
XLogP3.73
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.10
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide with MolForge

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 42905428
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
2-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 44902868
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55348894
1-(4-chlorophenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8788342
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 126064644
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 42910246

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (CID 98404336) is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is COc1ccc([C@H](CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)N2CCOCC2)cc1.
What is the InChIKey of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is GBVZXHWPUNYLCI-MHZLTWQESA-N. The full InChI is InChI=1S/C28H32ClN3O5S/c1-36-25-11-7-23(8-12-25)27(31-15-17-37-18-16-31)19-30-28(33)21-32(20-22-5-3-2-4-6-22)38(34,35)26-13-9-24(29)10-14-26/h2-14,27H,15-21H2,1H3,(H,30,33)/t27-/m0/s1.
What are the key properties of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 558.10 g/mol, XLogP of 3.73, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 98404336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).