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

C15H22N2O4S — CID 110345614

IUPACN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
SMILESCC1COCCN1S(=O)(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C15H22N2O4S/c1-13-12-21-9-8-17(13)22(19,20)10-7-16-15(18)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18)
InChIKeySWTHOOZZRCPBKJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.40
Rot. Bonds6

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

N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide (PubChem CID 110345614) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
PubChem CID110345614
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
SMILESCC1COCCN1S(=O)(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C15H22N2O4S/c1-13-12-21-9-8-17(13)22(19,20)10-7-16-15(18)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18)
InChIKeySWTHOOZZRCPBKJ-UHFFFAOYSA-N
XLogP0.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide
CID 110345613
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-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
CID 110345689
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
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
2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline
CID 106773734
2-[(2-phenylacetyl)amino]ethanesulfonate
CID 2179692
N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 18582812
benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
CID 110352392

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide (CID 110345614) is N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide is CC1COCCN1S(=O)(=O)CCNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide?
The InChIKey is SWTHOOZZRCPBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-13-12-21-9-8-17(13)22(19,20)10-7-16-15(18)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18).
What are the key properties of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide?
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide has a molecular weight of 326.42 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide is sourced from PubChem (CID 110345614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).