N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide

C19H24N2O6S2 — CID 25494709

IUPACN-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1NC(C)=O
InChIInChI=1S/C19H24N2O6S2/c1-13(15-6-8-16(9-7-15)28(5,23)24)21(3)29(25,26)17-10-11-19(27-4)18(12-17)20-14(2)22/h6-13H,1-5H3,(H,20,22)/t13-/m1/s1
InChIKeyACSFEVUIBPJNAS-CYBMUJFWSA-N
MW440.54 g/mol
LogP2.44
Rot. Bonds7

About N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide

N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 25494709) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide
PubChem CID25494709
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC NameN-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1NC(C)=O
InChIInChI=1S/C19H24N2O6S2/c1-13(15-6-8-16(9-7-15)28(5,23)24)21(3)29(25,26)17-10-11-19(27-4)18(12-17)20-14(2)22/h6-13H,1-5H3,(H,20,22)/t13-/m1/s1
InChIKeyACSFEVUIBPJNAS-CYBMUJFWSA-N
XLogP2.44
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide (CID 25494709) is N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide is COc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is ACSFEVUIBPJNAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-13(15-6-8-16(9-7-15)28(5,23)24)21(3)29(25,26)17-10-11-19(27-4)18(12-17)20-14(2)22/h6-13H,1-5H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide?
N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 440.54 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 25494709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).