2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide

C26H38N4O7S2 — CID 3185266

IUPAC2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC)CCCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H38N4O7S2/c1-4-28(5-2)15-6-16-30(21-26(31)27-22-7-9-23(36-3)10-8-22)39(34,35)25-13-11-24(12-14-25)38(32,33)29-17-19-37-20-18-29/h7-14H,4-6,15-21H2,1-3H3,(H,27,31)
InChIKeyHRRGLYHWODKGLC-UHFFFAOYSA-N
MW582.75 g/mol
LogP2.08
Rot. Bonds14

About 2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide

2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 3185266) has the molecular formula C26H38N4O7S2 and a molecular weight of 582.75 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID3185266
Molecular FormulaC26H38N4O7S2
Molecular Weight582.75 g/mol
Exact Mass582.22
IUPAC Name2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC)CCCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H38N4O7S2/c1-4-28(5-2)15-6-16-30(21-26(31)27-22-7-9-23(36-3)10-8-22)39(34,35)25-13-11-24(12-14-25)38(32,33)29-17-19-37-20-18-29/h7-14H,4-6,15-21H2,1-3H3,(H,27,31)
InChIKeyHRRGLYHWODKGLC-UHFFFAOYSA-N
XLogP2.08
TPSA125.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4017025
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900101
N-[4-(diethylsulfamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100655190
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4164776
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832930
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30127277
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 45372972

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide (CID 3185266) is 2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide is CCN(CC)CCCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is HRRGLYHWODKGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O7S2/c1-4-28(5-2)15-6-16-30(21-26(31)27-22-7-9-23(36-3)10-8-22)39(34,35)25-13-11-24(12-14-25)38(32,33)29-17-19-37-20-18-29/h7-14H,4-6,15-21H2,1-3H3,(H,27,31).
What are the key properties of 2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide?
2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 582.75 g/mol, XLogP of 2.08, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3185266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).