2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide

C17H27N3O3S2 — CID 7774946

IUPAC2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1
InChIInChI=1S/C17H27N3O3S2/c1-13(2)19-16(21)12-24-17-10-9-15(11-18-17)25(22,23)20(3)14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,19,21)
InChIKeySPSBYPDSXYHXKS-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.65
Rot. Bonds7

About 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide

2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 7774946) has the molecular formula C17H27N3O3S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
PubChem CID7774946
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC Name2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1
InChIInChI=1S/C17H27N3O3S2/c1-13(2)19-16(21)12-24-17-10-9-15(11-18-17)25(22,23)20(3)14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,19,21)
InChIKeySPSBYPDSXYHXKS-UHFFFAOYSA-N
XLogP2.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetyl]carbamate
CID 7774962
N-(2-cyanoethyl)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetamide
CID 7774968
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40681007
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide
CID 24530973
6-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide
CID 16617457
N-cyclohexyl-N-methyl-6-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 7491214
N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759590
(2R)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7774961
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide
CID 42894237
N-cyclohexyl-6-(2-hydroxy-4-phenylbutyl)sulfanyl-N-methylpyridine-3-sulfonamide
CID 154861439
(2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide
CID 40938897
N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 7491212

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide (CID 7774946) is 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1.
What is the InChIKey of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is SPSBYPDSXYHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c1-13(2)19-16(21)12-24-17-10-9-15(11-18-17)25(22,23)20(3)14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,19,21).
What are the key properties of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide?
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 385.56 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 7774946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).