N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide

C19H30N3O5S+ — CID 7944180

IUPACN-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)(CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1CCOCC1
InChIInChI=1S/C19H29N3O5S/c1-19(2,21-7-11-26-12-8-21)15-20-18(23)16-3-5-17(6-4-16)28(24,25)22-9-13-27-14-10-22/h3-6H,7-15H2,1-2H3,(H,20,23)/p+1
InChIKeyLAWNWZQKKGTKAY-UHFFFAOYSA-O
MW412.53 g/mol
LogP-0.87
Rot. Bonds6

About N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide

N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 7944180) has the molecular formula C19H30N3O5S+ and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID7944180
Molecular FormulaC19H30N3O5S+
Molecular Weight412.53 g/mol
Exact Mass412.19
IUPAC NameN-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)(CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1CCOCC1
InChIInChI=1S/C19H29N3O5S/c1-19(2,21-7-11-26-12-8-21)15-20-18(23)16-3-5-17(6-4-16)28(24,25)22-9-13-27-14-10-22/h3-6H,7-15H2,1-2H3,(H,20,23)/p+1
InChIKeyLAWNWZQKKGTKAY-UHFFFAOYSA-O
XLogP-0.87
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501
4-morpholin-4-ylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90498022
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide
CID 171136981
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 112991295
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 110416759
4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
CID 110642032
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide (CID 7944180) is N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide is CC(C)(CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LAWNWZQKKGTKAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H29N3O5S/c1-19(2,21-7-11-26-12-8-21)15-20-18(23)16-3-5-17(6-4-16)28(24,25)22-9-13-27-14-10-22/h3-6H,7-15H2,1-2H3,(H,20,23)/p+1.
What are the key properties of N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 412.53 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 7944180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).