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

C15H21BrN2O3S — CID 1342586

IUPAC2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
SMILESCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-17-15(19)11-18(13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19)
InChIKeyOXHDNPYGVFURJG-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.52
Rot. Bonds5

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

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide (PubChem CID 1342586) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
PubChem CID1342586
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
SMILESCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-17-15(19)11-18(13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19)
InChIKeyOXHDNPYGVFURJG-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
CID 4207935
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
CID 126013240
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2917382
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-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790812
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543890

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide (CID 1342586) is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide is CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide?
The InChIKey is OXHDNPYGVFURJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-17-15(19)11-18(13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide?
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide has a molecular weight of 389.32 g/mol, XLogP of 2.52, 5 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-methylacetamide is sourced from PubChem (CID 1342586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).