N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide

C14H20N2O5S2 — CID 8746733

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC
InChIInChI=1S/C14H20N2O5S2/c1-20-13-4-3-11(9-12(13)15-14(17)10-22-2)23(18,19)16-5-7-21-8-6-16/h3-4,9H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyCEHVCXRNXLFTHP-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.02
Rot. Bonds6

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide (PubChem CID 8746733) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
PubChem CID8746733
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC
InChIInChI=1S/C14H20N2O5S2/c1-20-13-4-3-11(9-12(13)15-14(17)10-22-2)23(18,19)16-5-7-21-8-6-16/h3-4,9H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyCEHVCXRNXLFTHP-UHFFFAOYSA-N
XLogP1.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 35942255
3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 32546042
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 24686157
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673318

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide (CID 8746733) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide?
The InChIKey is CEHVCXRNXLFTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-20-13-4-3-11(9-12(13)15-14(17)10-22-2)23(18,19)16-5-7-21-8-6-16/h3-4,9H,5-8,10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide has a molecular weight of 360.46 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 8746733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).