N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C23H28N2O5S — CID 133251824

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H28N2O5S/c1-17(30-22-8-4-6-18-5-2-3-7-21(18)22)23(26)24-19-9-11-20(12-10-19)31(27,28)25-13-15-29-16-14-25/h4,6,8-12,17H,2-3,5,7,13-16H2,1H3,(H,24,26)
InChIKeyQPOMDCDEILOCQH-UHFFFAOYSA-N
MW444.55 g/mol
LogP2.99
Rot. Bonds6

About N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133251824) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID133251824
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H28N2O5S/c1-17(30-22-8-4-6-18-5-2-3-7-21(18)22)23(26)24-19-9-11-20(12-10-19)31(27,28)25-13-15-29-16-14-25/h4,6,8-12,17H,2-3,5,7,13-16H2,1H3,(H,24,26)
InChIKeyQPOMDCDEILOCQH-UHFFFAOYSA-N
XLogP2.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100517901
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133202561
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100711289
2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
methyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzoate
CID 133163126
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9297404
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
(2S)-2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 42426694
2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 4932050
(2S)-N-(3-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612920

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133251824) is N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CC(Oc1cccc2c1CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is QPOMDCDEILOCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-17(30-22-8-4-6-18-5-2-3-7-21(18)22)23(26)24-19-9-11-20(12-10-19)31(27,28)25-13-15-29-16-14-25/h4,6,8-12,17H,2-3,5,7,13-16H2,1H3,(H,24,26).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 444.55 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133251824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).