3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide

C20H22N2O5S — CID 6461370

IUPAC3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H22N2O5S/c23-19(10-15-28(25,26)16-6-2-1-3-7-16)21-18-9-5-4-8-17(18)20(24)22-11-13-27-14-12-22/h1-9H,10-15H2,(H,21,23)
InChIKeyCMYBETJGFVLZRA-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.96
Rot. Bonds6

About 3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide

3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide (PubChem CID 6461370) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
PubChem CID6461370
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H22N2O5S/c23-19(10-15-28(25,26)16-6-2-1-3-7-16)21-18-9-5-4-8-17(18)20(24)22-11-13-27-14-12-22/h1-9H,10-15H2,(H,21,23)
InChIKeyCMYBETJGFVLZRA-UHFFFAOYSA-N
XLogP1.96
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
2-(4-methylphenyl)sulfonyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17309534
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35328696
3-(furan-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35329167
N-[2-(morpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 2988771
N-[2-(morpholine-4-carbonyl)phenyl]-3-naphthalen-1-ylpropanamide
CID 53278693
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
2-(2-fluorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35325829
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126322952
ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312299

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide (CID 6461370) is 3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
The InChIKey is CMYBETJGFVLZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c23-19(10-15-28(25,26)16-6-2-1-3-7-16)21-18-9-5-4-8-17(18)20(24)22-11-13-27-14-12-22/h1-9H,10-15H2,(H,21,23).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide has a molecular weight of 402.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide is sourced from PubChem (CID 6461370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).