N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide

C13H20N2O4S2 — CID 110345613

IUPACN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide
SMILESCC1COCCN1S(=O)(=O)CCNC(=O)Cc1cccs1
InChIInChI=1S/C13H20N2O4S2/c1-11-10-19-6-5-15(11)21(17,18)8-4-14-13(16)9-12-3-2-7-20-12/h2-3,7,11H,4-6,8-10H2,1H3,(H,14,16)
InChIKeyCPFJIFDBUIBCTP-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.46
Rot. Bonds6

About N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide

N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide (PubChem CID 110345613) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide
PubChem CID110345613
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide
SMILESCC1COCCN1S(=O)(=O)CCNC(=O)Cc1cccs1
InChIInChI=1S/C13H20N2O4S2/c1-11-10-19-6-5-15(11)21(17,18)8-4-14-13(16)9-12-3-2-7-20-12/h2-3,7,11H,4-6,8-10H2,1H3,(H,14,16)
InChIKeyCPFJIFDBUIBCTP-UHFFFAOYSA-N
XLogP0.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
CID 110345614
2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345598
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide
CID 110345641
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 16881362
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345680
5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345679
N-[2-(3-oxomorpholin-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110722581
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylacetamide
CID 47005477
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
CID 110345689
N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110790622

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide (CID 110345613) is N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide is CC1COCCN1S(=O)(=O)CCNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide?
The InChIKey is CPFJIFDBUIBCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-11-10-19-6-5-15(11)21(17,18)8-4-14-13(16)9-12-3-2-7-20-12/h2-3,7,11H,4-6,8-10H2,1H3,(H,14,16).
What are the key properties of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide?
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide has a molecular weight of 332.45 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110345613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).