2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide

C22H27BrN2O3S — CID 100790812

IUPAC2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H27BrN2O3S/c1-17-6-5-7-18(14-17)15-24-22(26)16-25(20-8-3-2-4-9-20)29(27,28)21-12-10-19(23)11-13-21/h5-7,10-14,20H,2-4,8-9,15-16H2,1H3,(H,24,26)
InChIKeyFZBQAYCAWNFBQB-UHFFFAOYSA-N
MW479.44 g/mol
LogP4.40
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 100790812) has the molecular formula C22H27BrN2O3S and a molecular weight of 479.44 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID100790812
Molecular FormulaC22H27BrN2O3S
Molecular Weight479.44 g/mol
Exact Mass478.09
IUPAC Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H27BrN2O3S/c1-17-6-5-7-18(14-17)15-24-22(26)16-25(20-8-3-2-4-9-20)29(27,28)21-12-10-19(23)11-13-21/h5-7,10-14,20H,2-4,8-9,15-16H2,1H3,(H,24,26)
InChIKeyFZBQAYCAWNFBQB-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1321078
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 100790062
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 1169069
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2917382
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
CID 126013240
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide (CID 100790812) is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is FZBQAYCAWNFBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3S/c1-17-6-5-7-18(14-17)15-24-22(26)16-25(20-8-3-2-4-9-20)29(27,28)21-12-10-19(23)11-13-21/h5-7,10-14,20H,2-4,8-9,15-16H2,1H3,(H,24,26).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide?
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 479.44 g/mol, XLogP of 4.40, 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-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 100790812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).