N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C17H18FN3O4S2 — CID 7570014

IUPACN-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1ccccc1F
InChIInChI=1S/C17H18FN3O4S2/c18-14-3-1-2-4-15(14)20-16(22)12-26-17-6-5-13(11-19-17)27(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)
InChIKeyQBVCNKCDINJNGD-UHFFFAOYSA-N
MW411.48 g/mol
LogP1.97
Rot. Bonds6

About N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 7570014) has the molecular formula C17H18FN3O4S2 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID7570014
Molecular FormulaC17H18FN3O4S2
Molecular Weight411.48 g/mol
Exact Mass411.07
IUPAC NameN-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1ccccc1F
InChIInChI=1S/C17H18FN3O4S2/c18-14-3-1-2-4-15(14)20-16(22)12-26-17-6-5-13(11-19-17)27(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)
InChIKeyQBVCNKCDINJNGD-UHFFFAOYSA-N
XLogP1.97
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 7570014) is N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is QBVCNKCDINJNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S2/c18-14-3-1-2-4-15(14)20-16(22)12-26-17-6-5-13(11-19-17)27(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12H2,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 411.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 7570014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).