N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C18H24N4O4S2 — CID 4878953

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nccn1C
InChIInChI=1S/C18H24N4O4S2/c1-21-11-8-19-18(21)27-13-17(23)20-15-12-14(6-7-16(15)26-2)28(24,25)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H,20,23)
InChIKeyHKALCOGOEHELNE-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.33
Rot. Bonds7

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 4878953) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID4878953
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nccn1C
InChIInChI=1S/C18H24N4O4S2/c1-21-11-8-19-18(21)27-13-17(23)20-15-12-14(6-7-16(15)26-2)28(24,25)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H,20,23)
InChIKeyHKALCOGOEHELNE-UHFFFAOYSA-N
XLogP2.33
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 4878953) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nccn1C.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is HKALCOGOEHELNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-21-11-8-19-18(21)27-13-17(23)20-15-12-14(6-7-16(15)26-2)28(24,25)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 424.55 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4878953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).