N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide

C19H23N3O4S — CID 154745151

IUPACN-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide
SMILESCOc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cccc2c1CN(C)C2
InChIInChI=1S/C19H23N3O4S/c1-13(23)20-10-14-7-8-18(26-3)19(9-14)27(24,25)21-17-6-4-5-15-11-22(2)12-16(15)17/h4-9,21H,10-12H2,1-3H3,(H,20,23)
InChIKeyQTGGUOYUJJSZSL-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.08
Rot. Bonds6

About N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide

N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide (PubChem CID 154745151) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide
PubChem CID154745151
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide
SMILESCOc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cccc2c1CN(C)C2
InChIInChI=1S/C19H23N3O4S/c1-13(23)20-10-14-7-8-18(26-3)19(9-14)27(24,25)21-17-6-4-5-15-11-22(2)12-16(15)17/h4-9,21H,10-12H2,1-3H3,(H,20,23)
InChIKeyQTGGUOYUJJSZSL-UHFFFAOYSA-N
XLogP2.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide
CID 47062648
N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 47062659
5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
CID 69076668
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 100614355
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
2-[[5-(acetamidomethyl)-2-methoxyphenyl]sulfonyl-propan-2-ylamino]acetic acid
CID 122072121
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935126
2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47072178
N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 167948439

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide (CID 154745151) is N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide is COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cccc2c1CN(C)C2.
What is the InChIKey of N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is QTGGUOYUJJSZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(23)20-10-14-7-8-18(26-3)19(9-14)27(24,25)21-17-6-4-5-15-11-22(2)12-16(15)17/h4-9,21H,10-12H2,1-3H3,(H,20,23).
What are the key properties of N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide?
N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 154745151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).