N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide

C18H21N3O6S2 — CID 1108171

IUPACN-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H21N3O6S2/c1-14(22)19-15-2-6-17(7-3-15)28(23,24)20-16-4-8-18(9-5-16)29(25,26)21-10-12-27-13-11-21/h2-9,20H,10-13H2,1H3,(H,19,22)
InChIKeyVSTUADXOFOCHGY-UHFFFAOYSA-N
MW439.52 g/mol
LogP1.47
Rot. Bonds6

About N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide

N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 1108171) has the molecular formula C18H21N3O6S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID1108171
Molecular FormulaC18H21N3O6S2
Molecular Weight439.52 g/mol
Exact Mass439.09
IUPAC NameN-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H21N3O6S2/c1-14(22)19-15-2-6-17(7-3-15)28(23,24)20-16-4-8-18(9-5-16)29(25,26)21-10-12-27-13-11-21/h2-9,20H,10-13H2,1H3,(H,19,22)
InChIKeyVSTUADXOFOCHGY-UHFFFAOYSA-N
XLogP1.47
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100663694
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
N-[4-[[5-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 177311374
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
CID 3508166

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide (CID 1108171) is N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is VSTUADXOFOCHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S2/c1-14(22)19-15-2-6-17(7-3-15)28(23,24)20-16-4-8-18(9-5-16)29(25,26)21-10-12-27-13-11-21/h2-9,20H,10-13H2,1H3,(H,19,22).
What are the key properties of N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1108171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).