N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide

C19H22N2O5S — CID 95117197

IUPACN-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide
SMILESCOc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1cc(C)ccc1NC(C)=O)CO2
InChIInChI=1S/C19H22N2O5S/c1-12-4-6-17(20-13(2)22)19(8-12)27(23,24)21-15-9-14-10-16(25-3)5-7-18(14)26-11-15/h4-8,10,15,21H,9,11H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyIJVKFSQIDLRQRE-OAHLLOKOSA-N
MW390.46 g/mol
LogP2.24
Rot. Bonds5

About N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide

N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide (PubChem CID 95117197) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide
PubChem CID95117197
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide
SMILESCOc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1cc(C)ccc1NC(C)=O)CO2
InChIInChI=1S/C19H22N2O5S/c1-12-4-6-17(20-13(2)22)19(8-12)27(23,24)21-15-9-14-10-16(25-3)5-7-18(14)26-11-15/h4-8,10,15,21H,9,11H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyIJVKFSQIDLRQRE-OAHLLOKOSA-N
XLogP2.24
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide with MolForge

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Related Compounds

N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
CID 53210049
1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713615
4-tert-butyl-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210024
5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117179
4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117153
N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide
CID 95117137
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
3-chloro-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210040
1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea
CID 92713604
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
N-[2-[(2,4-dimethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 60579365
1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580903

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide (CID 95117197) is N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide is COc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1cc(C)ccc1NC(C)=O)CO2.
What is the InChIKey of N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is IJVKFSQIDLRQRE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-12-4-6-17(20-13(2)22)19(8-12)27(23,24)21-15-9-14-10-16(25-3)5-7-18(14)26-11-15/h4-8,10,15,21H,9,11H2,1-3H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide?
N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 95117197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).