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

C17H25BrN2O3S — CID 2189203

IUPAC2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O3S/c1-2-12-19-17(21)13-20(15-6-4-3-5-7-15)24(22,23)16-10-8-14(18)9-11-16/h8-11,15H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyJQUCRVVPXGCTNL-UHFFFAOYSA-N
MW417.37 g/mol
LogP3.30
Rot. Bonds7

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

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide (PubChem CID 2189203) has the molecular formula C17H25BrN2O3S and a molecular weight of 417.37 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
PubChem CID2189203
Molecular FormulaC17H25BrN2O3S
Molecular Weight417.37 g/mol
Exact Mass416.08
IUPAC Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O3S/c1-2-12-19-17(21)13-20(15-6-4-3-5-7-15)24(22,23)16-10-8-14(18)9-11-16/h8-11,15H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyJQUCRVVPXGCTNL-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide (CID 2189203) is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide is CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide?
The InChIKey is JQUCRVVPXGCTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3S/c1-2-12-19-17(21)13-20(15-6-4-3-5-7-15)24(22,23)16-10-8-14(18)9-11-16/h8-11,15H,2-7,12-13H2,1H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide?
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-propylacetamide has a molecular weight of 417.37 g/mol, XLogP of 3.30, 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-propylacetamide is sourced from PubChem (CID 2189203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).