(3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone

C17H19ClN2O5S2 — CID 3856605

IUPAC(3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
SMILESCc1ccc(OCC2CN(C(=O)c3scc(S(C)(=O)=O)c3Cl)CCO2)cn1
InChIInChI=1S/C17H19ClN2O5S2/c1-11-3-4-12(7-19-11)25-9-13-8-20(5-6-24-13)17(21)16-15(18)14(10-26-16)27(2,22)23/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyWFRADDSULRZCQO-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.43
Rot. Bonds5

About (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone

(3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone (PubChem CID 3856605) has the molecular formula C17H19ClN2O5S2 and a molecular weight of 430.94 g/mol. Its IUPAC name is (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
PubChem CID3856605
Molecular FormulaC17H19ClN2O5S2
Molecular Weight430.94 g/mol
Exact Mass430.04
IUPAC Name(3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
SMILESCc1ccc(OCC2CN(C(=O)c3scc(S(C)(=O)=O)c3Cl)CCO2)cn1
InChIInChI=1S/C17H19ClN2O5S2/c1-11-3-4-12(7-19-11)25-9-13-8-20(5-6-24-13)17(21)16-15(18)14(10-26-16)27(2,22)23/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyWFRADDSULRZCQO-UHFFFAOYSA-N
XLogP2.43
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(2-fluoro-3-pyridinyl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 5016333
(3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 3344780
(3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103403243
N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide
CID 3826695
[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone
CID 5003545
4-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 3782827
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3559114
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 92760487
(2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone
CID 46100086

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
The IUPAC name of (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone (CID 3856605) is (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone is Cc1ccc(OCC2CN(C(=O)c3scc(S(C)(=O)=O)c3Cl)CCO2)cn1.
What is the InChIKey of (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
The InChIKey is WFRADDSULRZCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5S2/c1-11-3-4-12(7-19-11)25-9-13-8-20(5-6-24-13)17(21)16-15(18)14(10-26-16)27(2,22)23/h3-4,7,10,13H,5-6,8-9H2,1-2H3.
What are the key properties of (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
(3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone has a molecular weight of 430.94 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 3856605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).