N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide

C19H23N3O3S2 — CID 6462367

IUPACN-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(S(=O)(=O)Nc2cccnc2)cc1)NC1CCCCC1
InChIInChI=1S/C19H23N3O3S2/c23-19(21-15-5-2-1-3-6-15)14-26-17-8-10-18(11-9-17)27(24,25)22-16-7-4-12-20-13-16/h4,7-13,15,22H,1-3,5-6,14H2,(H,21,23)
InChIKeyOIAZPASBPLCXHW-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.42
Rot. Bonds7

About N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide

N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide (PubChem CID 6462367) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide
PubChem CID6462367
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC NameN-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(S(=O)(=O)Nc2cccnc2)cc1)NC1CCCCC1
InChIInChI=1S/C19H23N3O3S2/c23-19(21-15-5-2-1-3-6-15)14-26-17-8-10-18(11-9-17)27(24,25)22-16-7-4-12-20-13-16/h4,7-13,15,22H,1-3,5-6,14H2,(H,21,23)
InChIKeyOIAZPASBPLCXHW-UHFFFAOYSA-N
XLogP3.42
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
CID 9408204
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide
CID 51096205
N-cyclooctyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide
CID 47771122
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 2403044
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 4791296
N-cyclopentyl-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 860242

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide (CID 6462367) is N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide is O=C(CSc1ccc(S(=O)(=O)Nc2cccnc2)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide?
The InChIKey is OIAZPASBPLCXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c23-19(21-15-5-2-1-3-6-15)14-26-17-8-10-18(11-9-17)27(24,25)22-16-7-4-12-20-13-16/h4,7-13,15,22H,1-3,5-6,14H2,(H,21,23).
What are the key properties of N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide?
N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide has a molecular weight of 405.55 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 6462367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).