N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide

C18H26N2O4S — CID 136529605

IUPACN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C18H26N2O4S/c1-14-7-8-17(19-11-14)24-12-18(21)20(15-5-3-2-4-6-15)16-9-10-25(22,23)13-16/h7-8,11,15-16H,2-6,9-10,12-13H2,1H3
InChIKeyWJCBIAATDMNGQS-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.12
Rot. Bonds5

About N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide (PubChem CID 136529605) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide
PubChem CID136529605
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C18H26N2O4S/c1-14-7-8-17(19-11-14)24-12-18(21)20(15-5-3-2-4-6-15)16-9-10-25(22,23)13-16/h7-8,11,15-16H,2-6,9-10,12-13H2,1H3
InChIKeyWJCBIAATDMNGQS-UHFFFAOYSA-N
XLogP2.12
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 46824899
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547224
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide
CID 136531982
2-(4-cyanophenoxy)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2576465
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55602823
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002010
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002011
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 17473544
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 26006663
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7889742

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide (CID 136529605) is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide is Cc1ccc(OCC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)nc1.
What is the InChIKey of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide?
The InChIKey is WJCBIAATDMNGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-7-8-17(19-11-14)24-12-18(21)20(15-5-3-2-4-6-15)16-9-10-25(22,23)13-16/h7-8,11,15-16H,2-6,9-10,12-13H2,1H3.
What are the key properties of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide?
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide has a molecular weight of 366.48 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 136529605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).