4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide

C21H26N2O6S — CID 25046566

IUPAC4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O6S/c1-27-17-5-3-16(4-6-17)20(15-21(24)23-11-13-29-14-12-23)22-30(25,26)19-9-7-18(28-2)8-10-19/h3-10,20,22H,11-15H2,1-2H3
InChIKeyNIXZQTGMARXMPJ-UHFFFAOYSA-N
MW434.51 g/mol
LogP1.97
Rot. Bonds8

About 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide

4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide (PubChem CID 25046566) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide
PubChem CID25046566
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O6S/c1-27-17-5-3-16(4-6-17)20(15-21(24)23-11-13-29-14-12-23)22-30(25,26)19-9-7-18(28-2)8-10-19/h3-10,20,22H,11-15H2,1-2H3
InChIKeyNIXZQTGMARXMPJ-UHFFFAOYSA-N
XLogP1.97
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 92698423
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
N-[(1S)-1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide
CID 100784572
4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide
CID 6667385
methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate
CID 22907030
4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99130763
N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 5124030
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837
3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 3618581

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide (CID 25046566) is 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide is COc1ccc(C(CC(=O)N2CCOCC2)NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide?
The InChIKey is NIXZQTGMARXMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-17-5-3-16(4-6-17)20(15-21(24)23-11-13-29-14-12-23)22-30(25,26)19-9-7-18(28-2)8-10-19/h3-10,20,22H,11-15H2,1-2H3.
What are the key properties of 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide?
4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide has a molecular weight of 434.51 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 25046566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).