2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

C21H23N3O6S2 — CID 46489210

IUPAC2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O6S2/c1-16-2-7-19(12-20(16)32(28,29)24-8-10-30-11-9-24)23-21(25)15-31(26,27)14-18-5-3-17(13-22)4-6-18/h2-7,12H,8-11,14-15H2,1H3,(H,23,25)
InChIKeyHGMMNKIFHSUIOW-UHFFFAOYSA-N
MW477.56 g/mol
LogP1.44
Rot. Bonds7

About 2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 46489210) has the molecular formula C21H23N3O6S2 and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID46489210
Molecular FormulaC21H23N3O6S2
Molecular Weight477.56 g/mol
Exact Mass477.10
IUPAC Name2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O6S2/c1-16-2-7-19(12-20(16)32(28,29)24-8-10-30-11-9-24)23-21(25)15-31(26,27)14-18-5-3-17(13-22)4-6-18/h2-7,12H,8-11,14-15H2,1H3,(H,23,25)
InChIKeyHGMMNKIFHSUIOW-UHFFFAOYSA-N
XLogP1.44
TPSA133.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile
CID 27056917
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16545878
5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide
CID 24620415
3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 46686125
2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16523782
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42962828
2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55754980

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 46489210) is 2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is HGMMNKIFHSUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S2/c1-16-2-7-19(12-20(16)32(28,29)24-8-10-30-11-9-24)23-21(25)15-31(26,27)14-18-5-3-17(13-22)4-6-18/h2-7,12H,8-11,14-15H2,1H3,(H,23,25).
What are the key properties of 2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 477.56 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 46489210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).