N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide

C19H19N3O5S — CID 46490267

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O5S/c1-13(23)21-16-7-8-18(27-2)17(9-16)22-19(24)12-28(25,26)11-15-5-3-14(10-20)4-6-15/h3-9H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRCCLDMFJGBEKLJ-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.08
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide (PubChem CID 46490267) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
PubChem CID46490267
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O5S/c1-13(23)21-16-7-8-18(27-2)17(9-16)22-19(24)12-28(25,26)11-15-5-3-14(10-20)4-6-15/h3-9H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRCCLDMFJGBEKLJ-UHFFFAOYSA-N
XLogP2.08
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 9019861
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 46488526
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 55759563
5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide
CID 110764577
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
2-[(4-cyanophenyl)methylsulfonyl]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
CID 55892666
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
4-[[2-(2-methoxyanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731697

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide (CID 46490267) is N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The InChIKey is RCCLDMFJGBEKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-13(23)21-16-7-8-18(27-2)17(9-16)22-19(24)12-28(25,26)11-15-5-3-14(10-20)4-6-15/h3-9H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide has a molecular weight of 401.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 46490267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).