(2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C23H29NO4S — CID 100588926

IUPAC(2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H29NO4S/c1-4-22(18-10-13-21(14-11-18)29(3,26)27)24-23(25)16(2)28-20-12-9-17-7-5-6-8-19(17)15-20/h9-16,22H,4-8H2,1-3H3,(H,24,25)/t16-,22-/m0/s1
InChIKeyCLNYWMCGJNDMPG-AOMKIAJQSA-N
MW415.56 g/mol
LogP4.00
Rot. Bonds7

About (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100588926) has the molecular formula C23H29NO4S and a molecular weight of 415.56 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100588926
Molecular FormulaC23H29NO4S
Molecular Weight415.56 g/mol
Exact Mass415.18
IUPAC Name(2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H29NO4S/c1-4-22(18-10-13-21(14-11-18)29(3,26)27)24-23(25)16(2)28-20-12-9-17-7-5-6-8-19(17)15-20/h9-16,22H,4-8H2,1-3H3,(H,24,25)/t16-,22-/m0/s1
InChIKeyCLNYWMCGJNDMPG-AOMKIAJQSA-N
XLogP4.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133202798
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100672901
(2R)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100770909
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 125083149
2-(3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191614
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100604886
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187740
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100724187

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100588926) is (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is CLNYWMCGJNDMPG-AOMKIAJQSA-N. The full InChI is InChI=1S/C23H29NO4S/c1-4-22(18-10-13-21(14-11-18)29(3,26)27)24-23(25)16(2)28-20-12-9-17-7-5-6-8-19(17)15-20/h9-16,22H,4-8H2,1-3H3,(H,24,25)/t16-,22-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 415.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100588926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).