N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide

C16H23N3O5S — CID 110352396

IUPACN-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
SMILESCC1COCCN1S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O5S/c1-13-12-24-11-8-19(13)25(21,22)15-4-2-14(3-5-15)17-16(20)18-6-9-23-10-7-18/h2-5,13H,6-12H2,1H3,(H,17,20)
InChIKeyXLUKVKDIVNOESW-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.96
Rot. Bonds3

About N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide

N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide (PubChem CID 110352396) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
PubChem CID110352396
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
SMILESCC1COCCN1S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O5S/c1-13-12-24-11-8-19(13)25(21,22)15-4-2-14(3-5-15)17-16(20)18-6-9-23-10-7-18/h2-5,13H,6-12H2,1H3,(H,17,20)
InChIKeyXLUKVKDIVNOESW-UHFFFAOYSA-N
XLogP0.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352359
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
CID 110352360
benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
CID 110352392
4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 155180653
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
CID 110352399
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
CID 110352480
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343681

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide (CID 110352396) is N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide is CC1COCCN1S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide?
The InChIKey is XLUKVKDIVNOESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-13-12-24-11-8-19(13)25(21,22)15-4-2-14(3-5-15)17-16(20)18-6-9-23-10-7-18/h2-5,13H,6-12H2,1H3,(H,17,20).
What are the key properties of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide?
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide is sourced from PubChem (CID 110352396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).