2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide

C22H27BrN2O3S — CID 126013240

IUPAC2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H27BrN2O3S/c1-2-17-8-12-19(13-9-17)24-22(26)16-25(20-6-4-3-5-7-20)29(27,28)21-14-10-18(23)11-15-21/h8-15,20H,2-7,16H2,1H3,(H,24,26)
InChIKeyQKMIGBLAVKVWRN-UHFFFAOYSA-N
MW479.44 g/mol
LogP4.97
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide (PubChem CID 126013240) has the molecular formula C22H27BrN2O3S and a molecular weight of 479.44 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
PubChem CID126013240
Molecular FormulaC22H27BrN2O3S
Molecular Weight479.44 g/mol
Exact Mass478.09
IUPAC Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H27BrN2O3S/c1-2-17-8-12-19(13-9-17)24-22(26)16-25(20-6-4-3-5-7-20)29(27,28)21-14-10-18(23)11-15-21/h8-15,20H,2-7,16H2,1H3,(H,24,26)
InChIKeyQKMIGBLAVKVWRN-UHFFFAOYSA-N
XLogP4.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 126010831
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
CID 4207935
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 1342586
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1321078
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 43871742
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
methyl 2-[[2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 1001605
methyl 4-[[2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 2909473
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(2-ethoxyphenyl)acetamide
CID 987652
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide (CID 126013240) is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide?
The InChIKey is QKMIGBLAVKVWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3S/c1-2-17-8-12-19(13-9-17)24-22(26)16-25(20-6-4-3-5-7-20)29(27,28)21-14-10-18(23)11-15-21/h8-15,20H,2-7,16H2,1H3,(H,24,26).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide?
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide has a molecular weight of 479.44 g/mol, XLogP of 4.97, 7 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 126013240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).