2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C25H25BrN2O3S — CID 28543842

IUPAC2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C25H25BrN2O3S/c26-21-13-15-22(16-14-21)32(30,31)28(17-19-7-2-1-3-8-19)18-25(29)27-24-12-6-10-20-9-4-5-11-23(20)24/h1-5,7-9,11,13-16,24H,6,10,12,17-18H2,(H,27,29)/t24-/m0/s1
InChIKeyQYROXOLCBPNNGN-DEOSSOPVSA-N
MW513.46 g/mol
LogP4.83
Rot. Bonds7

About 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 28543842) has the molecular formula C25H25BrN2O3S and a molecular weight of 513.46 g/mol. Its IUPAC name is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID28543842
Molecular FormulaC25H25BrN2O3S
Molecular Weight513.46 g/mol
Exact Mass512.08
IUPAC Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C25H25BrN2O3S/c26-21-13-15-22(16-14-21)32(30,31)28(17-19-7-2-1-3-8-19)18-25(29)27-24-12-6-10-20-9-4-5-11-23(20)24/h1-5,7-9,11,13-16,24H,6,10,12,17-18H2,(H,27,29)/t24-/m0/s1
InChIKeyQYROXOLCBPNNGN-DEOSSOPVSA-N
XLogP4.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2546590
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28543897
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43872076
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28547172
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28548851
2-[benzyl(ethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8541655
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544264
3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229779
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 26565871
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133228869

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 28543842) is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is QYROXOLCBPNNGN-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25BrN2O3S/c26-21-13-15-22(16-14-21)32(30,31)28(17-19-7-2-1-3-8-19)18-25(29)27-24-12-6-10-20-9-4-5-11-23(20)24/h1-5,7-9,11,13-16,24H,6,10,12,17-18H2,(H,27,29)/t24-/m0/s1.
What are the key properties of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 513.46 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 28543842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).