N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C23H28N2O4S — CID 34557995

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H28N2O4S/c1-24-30(28,29)16-18-8-6-17(7-9-18)15-25-23(27)13-12-22(26)21-11-10-19-4-2-3-5-20(19)14-21/h6-11,14,24H,2-5,12-13,15-16H2,1H3,(H,25,27)
InChIKeyXBYBWONGUOPXNR-UHFFFAOYSA-N
MW428.55 g/mol
LogP2.89
Rot. Bonds9

About N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 34557995) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID34557995
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H28N2O4S/c1-24-30(28,29)16-18-8-6-17(7-9-18)15-25-23(27)13-12-22(26)21-11-10-19-4-2-3-5-20(19)14-21/h6-11,14,24H,2-5,12-13,15-16H2,1H3,(H,25,27)
InChIKeyXBYBWONGUOPXNR-UHFFFAOYSA-N
XLogP2.89
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9393455
N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 30855920
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55841075
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 9116198
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
1-benzyl-3-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]thiourea
CID 31529199
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
N-(2-amino-2-ethylbutyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119640425
N-[2-(4-aminophenyl)ethyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119547831
ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate
CID 108807177

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 34557995) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is CNS(=O)(=O)Cc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is XBYBWONGUOPXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-24-30(28,29)16-18-8-6-17(7-9-18)15-25-23(27)13-12-22(26)21-11-10-19-4-2-3-5-20(19)14-21/h6-11,14,24H,2-5,12-13,15-16H2,1H3,(H,25,27).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 428.55 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 34557995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).