2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide

C18H27N3O3S2 — CID 42894237

IUPAC2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1
InChIInChI=1S/C18H27N3O3S2/c1-4-12-19-18(22)14(2)25-17-11-10-16(13-20-17)26(23,24)21(3)15-8-6-5-7-9-15/h4,10-11,13-15H,1,5-9,12H2,2-3H3,(H,19,22)
InChIKeyKPOZPXUYQUTVKX-UHFFFAOYSA-N
MW397.57 g/mol
LogP2.82
Rot. Bonds8

About 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide

2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide (PubChem CID 42894237) has the molecular formula C18H27N3O3S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide
PubChem CID42894237
Molecular FormulaC18H27N3O3S2
Molecular Weight397.57 g/mol
Exact Mass397.15
IUPAC Name2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1
InChIInChI=1S/C18H27N3O3S2/c1-4-12-19-18(22)14(2)25-17-11-10-16(13-20-17)26(23,24)21(3)15-8-6-5-7-9-15/h4,10-11,13-15H,1,5-9,12H2,2-3H3,(H,19,22)
InChIKeyKPOZPXUYQUTVKX-UHFFFAOYSA-N
XLogP2.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7774961
(2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide
CID 40938897
(2R)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41403410
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
CID 7774946
(2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 25312465
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 11924878
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 11924879
N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 7491212
N-(2-cyanoethyl)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetamide
CID 7774968
N-cyclohexyl-6-(2-hydroxy-4-phenylbutyl)sulfanyl-N-methylpyridine-3-sulfonamide
CID 154861439
(2S)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561729
N-cycloheptyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625230

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide (CID 42894237) is 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1.
What is the InChIKey of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide?
The InChIKey is KPOZPXUYQUTVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S2/c1-4-12-19-18(22)14(2)25-17-11-10-16(13-20-17)26(23,24)21(3)15-8-6-5-7-9-15/h4,10-11,13-15H,1,5-9,12H2,2-3H3,(H,19,22).
What are the key properties of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide?
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide has a molecular weight of 397.57 g/mol, XLogP of 2.82, 8 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-prop-2-enylpropanamide is sourced from PubChem (CID 42894237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).