2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide

C16H25N3O4S2 — CID 7774868

IUPAC2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C16H25N3O4S2/c1-3-13(4-2)18-15(20)12-24-16-6-5-14(11-17-16)25(21,22)19-7-9-23-10-8-19/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,18,20)
InChIKeyRGHDRCJFLPLJNB-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.50
Rot. Bonds8

About 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide

2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide (PubChem CID 7774868) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide
PubChem CID7774868
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC Name2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C16H25N3O4S2/c1-3-13(4-2)18-15(20)12-24-16-6-5-14(11-17-16)25(21,22)19-7-9-23-10-8-19/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,18,20)
InChIKeyRGHDRCJFLPLJNB-UHFFFAOYSA-N
XLogP1.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide (CID 7774868) is 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide?
The InChIKey is RGHDRCJFLPLJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c1-3-13(4-2)18-15(20)12-24-16-6-5-14(11-17-16)25(21,22)19-7-9-23-10-8-19/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,18,20).
What are the key properties of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide?
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide has a molecular weight of 387.53 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 7774868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).