N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C22H32N2O5S — CID 47029158

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC(C)O1
InChIInChI=1S/C22H32N2O5S/c1-16-14-24(15-17(2)29-16)30(27,28)12-11-23-22(26)10-9-21(25)20-8-7-18-5-3-4-6-19(18)13-20/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyPXXZKXPSOTWAMY-UHFFFAOYSA-N
MW436.57 g/mol
LogP2.08
Rot. Bonds8

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 47029158) has the molecular formula C22H32N2O5S and a molecular weight of 436.57 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID47029158
Molecular FormulaC22H32N2O5S
Molecular Weight436.57 g/mol
Exact Mass436.20
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC(C)O1
InChIInChI=1S/C22H32N2O5S/c1-16-14-24(15-17(2)29-16)30(27,28)12-11-23-22(26)10-9-21(25)20-8-7-18-5-3-4-6-19(18)13-20/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyPXXZKXPSOTWAMY-UHFFFAOYSA-N
XLogP2.08
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
3-(3-bromo-4-methoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
CID 55658110
4-oxo-N-(2-piperazin-1-ylethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 119448949
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
4-(2,3-dihydro-1H-inden-5-yl)-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51176726
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
CID 55658112
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
CID 94314016
N-[2-(4-aminophenyl)ethyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119547831

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 47029158) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is CC1CN(S(=O)(=O)CCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is PXXZKXPSOTWAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5S/c1-16-14-24(15-17(2)29-16)30(27,28)12-11-23-22(26)10-9-21(25)20-8-7-18-5-3-4-6-19(18)13-20/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 436.57 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 47029158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).