2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide

C16H23BrN2O3S — CID 4207935

IUPAC2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O3S/c1-2-18-16(20)12-19(14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeySCOSBVQZEXUHMC-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.91
Rot. Bonds6

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

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide (PubChem CID 4207935) has the molecular formula C16H23BrN2O3S and a molecular weight of 403.34 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
PubChem CID4207935
Molecular FormulaC16H23BrN2O3S
Molecular Weight403.34 g/mol
Exact Mass402.06
IUPAC Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O3S/c1-2-18-16(20)12-19(14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeySCOSBVQZEXUHMC-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 1342586
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]-N-[(3-methylphenyl)methyl]acetamide
CID 100790812
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(2-ethoxyphenyl)acetamide
CID 987652
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
methyl 2-[[2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 1001605
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide (CID 4207935) is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide is CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide?
The InChIKey is SCOSBVQZEXUHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S/c1-2-18-16(20)12-19(14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide?
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide has a molecular weight of 403.34 g/mol, XLogP of 2.91, 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-ethylacetamide is sourced from PubChem (CID 4207935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).