N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide

C20H24N2O4S — CID 90581245

IUPACN-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2(O)CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C20H24N2O4S/c1-14-11-18(22-15(2)23)7-8-19(14)27(25,26)21-13-20(24)10-9-16-5-3-4-6-17(16)12-20/h3-8,11,21,24H,9-10,12-13H2,1-2H3,(H,22,23)
InChIKeyMWQHBGLDGOQUJB-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.15
Rot. Bonds5

About N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide

N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide (PubChem CID 90581245) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide
PubChem CID90581245
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2(O)CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C20H24N2O4S/c1-14-11-18(22-15(2)23)7-8-19(14)27(25,26)21-13-20(24)10-9-16-5-3-4-6-17(16)12-20/h3-8,11,21,24H,9-10,12-13H2,1-2H3,(H,22,23)
InChIKeyMWQHBGLDGOQUJB-UHFFFAOYSA-N
XLogP2.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 97042676
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 90581236
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 90581195
1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea
CID 90581348
1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea
CID 97107626
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 90581247
N-(3-acetamidophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999723
1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea
CID 90581362
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]pyridine-3-sulfonamide
CID 90581181
4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65102885
3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
CID 97105829
3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
CID 97105828

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide (CID 90581245) is N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC2(O)CCc3ccccc3C2)c(C)c1.
What is the InChIKey of N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide?
The InChIKey is MWQHBGLDGOQUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-11-18(22-15(2)23)7-8-19(14)27(25,26)21-13-20(24)10-9-16-5-3-4-6-17(16)12-20/h3-8,11,21,24H,9-10,12-13H2,1-2H3,(H,22,23).
What are the key properties of N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide?
N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide is sourced from PubChem (CID 90581245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).