N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide

C16H22N2O5S — CID 110631064

IUPACN-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N2CCOCC2C)cc1
InChIInChI=1S/C16H22N2O5S/c1-12-11-23-9-8-18(12)16(20)7-10-24(21,22)15-5-3-14(4-6-15)17-13(2)19/h3-6,12H,7-11H2,1-2H3,(H,17,19)
InChIKeyMCMCPKVDNVBNQF-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.06
Rot. Bonds5

About N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide

N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide (PubChem CID 110631064) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide
PubChem CID110631064
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N2CCOCC2C)cc1
InChIInChI=1S/C16H22N2O5S/c1-12-11-23-9-8-18(12)16(20)7-10-24(21,22)15-5-3-14(4-6-15)17-13(2)19/h3-6,12H,7-11H2,1-2H3,(H,17,19)
InChIKeyMCMCPKVDNVBNQF-UHFFFAOYSA-N
XLogP1.06
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631062
N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide
CID 117032057
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide
CID 56823123
4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 60842403
4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid
CID 119215921

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide (CID 110631064) is N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N2CCOCC2C)cc1.
What is the InChIKey of N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide?
The InChIKey is MCMCPKVDNVBNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-12-11-23-9-8-18(12)16(20)7-10-24(21,22)15-5-3-14(4-6-15)17-13(2)19/h3-6,12H,7-11H2,1-2H3,(H,17,19).
What are the key properties of N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide?
N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide is sourced from PubChem (CID 110631064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).