2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide

C22H19N3O4S — CID 168523034

IUPAC2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(NC(=O)CC#N)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19N3O4S/c1-16-7-8-18(24-22(26)13-14-23)15-21(16)30(27,28)25-17-9-11-20(12-10-17)29-19-5-3-2-4-6-19/h2-12,15,25H,13H2,1H3,(H,24,26)
InChIKeyUCILHQMFSGXTAB-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.44
Rot. Bonds7

About 2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide

2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 168523034) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID168523034
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(NC(=O)CC#N)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19N3O4S/c1-16-7-8-18(24-22(26)13-14-23)15-21(16)30(27,28)25-17-9-11-20(12-10-17)29-19-5-3-2-4-6-19/h2-12,15,25H,13H2,1H3,(H,24,26)
InChIKeyUCILHQMFSGXTAB-UHFFFAOYSA-N
XLogP4.44
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl 5-[(2-cyanoacetyl)amino]-2-methylbenzenesulfonate
CID 168523061
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26852031
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 35155544
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 42988703
2-(cyanomethylsulfanyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 36679992
2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 168520574
2-cyano-N-(4-naphthalen-2-yloxyphenyl)acetamide
CID 168522770
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
3-[[4-(cyanomethyl)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 37263775
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
CID 17491857

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide (CID 168523034) is 2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide is Cc1ccc(NC(=O)CC#N)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is UCILHQMFSGXTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-16-7-8-18(24-22(26)13-14-23)15-21(16)30(27,28)25-17-9-11-20(12-10-17)29-19-5-3-2-4-6-19/h2-12,15,25H,13H2,1H3,(H,24,26).
What are the key properties of 2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide?
2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 421.48 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 168523034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).