N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide

C20H19NO5S — CID 171909711

IUPACN-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cc(S(C)(=O)=O)ccc3C)cc(=O)oc2c1
InChIInChI=1S/C20H19NO5S/c1-12-4-7-16-14(10-20(23)26-18(16)8-12)9-19(22)21-17-11-15(27(3,24)25)6-5-13(17)2/h4-8,10-11H,9H2,1-3H3,(H,21,22)
InChIKeyCBKHEGGBWMJPKL-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.99
Rot. Bonds4

About N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide

N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide (PubChem CID 171909711) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
PubChem CID171909711
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cc(S(C)(=O)=O)ccc3C)cc(=O)oc2c1
InChIInChI=1S/C20H19NO5S/c1-12-4-7-16-14(10-20(23)26-18(16)8-12)9-19(22)21-17-11-15(27(3,24)25)6-5-13(17)2/h4-8,10-11H,9H2,1-3H3,(H,21,22)
InChIKeyCBKHEGGBWMJPKL-UHFFFAOYSA-N
XLogP2.99
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
N-(2-ethoxyphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180282
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
2-(7-methyl-2-oxochromen-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 41126634
3-(7-methyl-2-oxochromen-4-yl)-2-oxopropanoic acid
CID 12820491
N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180290
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 18196078
2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide
CID 41180238
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide (CID 171909711) is N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide is Cc1ccc2c(CC(=O)Nc3cc(S(C)(=O)=O)ccc3C)cc(=O)oc2c1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The InChIKey is CBKHEGGBWMJPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-12-4-7-16-14(10-20(23)26-18(16)8-12)9-19(22)21-17-11-15(27(3,24)25)6-5-13(17)2/h4-8,10-11H,9H2,1-3H3,(H,21,22).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide?
N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide has a molecular weight of 385.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide is sourced from PubChem (CID 171909711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).