2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C24H29BrN2O3S — CID 28543897

IUPAC2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H29BrN2O3S/c25-19-13-15-21(16-14-19)31(29,30)27(20-9-2-1-3-10-20)17-24(28)26-23-12-6-8-18-7-4-5-11-22(18)23/h4-5,7,11,13-16,20,23H,1-3,6,8-10,12,17H2,(H,26,28)/t23-/m1/s1
InChIKeyHDDOTXYZJPHQLI-HSZRJFAPSA-N
MW505.48 g/mol
LogP4.97
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 28543897) has the molecular formula C24H29BrN2O3S and a molecular weight of 505.48 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID28543897
Molecular FormulaC24H29BrN2O3S
Molecular Weight505.48 g/mol
Exact Mass504.11
IUPAC Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H29BrN2O3S/c25-19-13-15-21(16-14-19)31(29,30)27(20-9-2-1-3-10-20)17-24(28)26-23-12-6-8-18-7-4-5-11-22(18)23/h4-5,7,11,13-16,20,23H,1-3,6,8-10,12,17H2,(H,26,28)/t23-/m1/s1
InChIKeyHDDOTXYZJPHQLI-HSZRJFAPSA-N
XLogP4.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28543842
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 1342586
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133228869
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28547172
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92679322
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 26565871
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30211446
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43894689
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229779

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 28543897) is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is HDDOTXYZJPHQLI-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H29BrN2O3S/c25-19-13-15-21(16-14-19)31(29,30)27(20-9-2-1-3-10-20)17-24(28)26-23-12-6-8-18-7-4-5-11-22(18)23/h4-5,7,11,13-16,20,23H,1-3,6,8-10,12,17H2,(H,26,28)/t23-/m1/s1.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 505.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 28543897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).