N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C26H34N2O4S — CID 41226049

IUPACN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C26H34N2O4S/c1-4-28(5-2)33(31,32)24-14-12-20(13-15-24)19(3)27-26(30)17-16-25(29)23-11-10-21-8-6-7-9-22(21)18-23/h10-15,18-19H,4-9,16-17H2,1-3H3,(H,27,30)/t19-/m0/s1
InChIKeyZVSPABYMUHDSFT-IBGZPJMESA-N
MW470.64 g/mol
LogP4.44
Rot. Bonds10

About N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 41226049) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID41226049
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C26H34N2O4S/c1-4-28(5-2)33(31,32)24-14-12-20(13-15-24)19(3)27-26(30)17-16-25(29)23-11-10-21-8-6-7-9-22(21)18-23/h10-15,18-19H,4-9,16-17H2,1-3H3,(H,27,30)/t19-/m0/s1
InChIKeyZVSPABYMUHDSFT-IBGZPJMESA-N
XLogP4.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 41226047
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 8012716
4-(4-fluorophenyl)-4-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9395353
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9118329
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(4-methylphenyl)butanamide
CID 55773914
(2S)-2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 119360111
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8802080
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55468134

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 41226049) is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is ZVSPABYMUHDSFT-IBGZPJMESA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-4-28(5-2)33(31,32)24-14-12-20(13-15-24)19(3)27-26(30)17-16-25(29)23-11-10-21-8-6-7-9-22(21)18-23/h10-15,18-19H,4-9,16-17H2,1-3H3,(H,27,30)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 470.64 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 41226049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).