(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide

C22H24N2O4S — CID 55937335

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)ccc2c1
InChIInChI=1S/C22H24N2O4S/c1-14(16-7-8-19-12-20(28-3)10-9-18(19)11-16)22(25)24-15(2)17-5-4-6-21(13-17)29(23,26)27/h4-15H,1-3H3,(H,24,25)(H2,23,26,27)/t14-,15?/m0/s1
InChIKeyHPGMJGCFCOWASZ-MLCCFXAWSA-N
MW412.51 g/mol
LogP3.48
Rot. Bonds6

About (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide (PubChem CID 55937335) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
PubChem CID55937335
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)ccc2c1
InChIInChI=1S/C22H24N2O4S/c1-14(16-7-8-19-12-20(28-3)10-9-18(19)11-16)22(25)24-15(2)17-5-4-6-21(13-17)29(23,26)27/h4-15H,1-3H3,(H,24,25)(H2,23,26,27)/t14-,15?/m0/s1
InChIKeyHPGMJGCFCOWASZ-MLCCFXAWSA-N
XLogP3.48
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55407765
(2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 24545440
5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51213515
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride
CID 120507302
2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 17483575
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 78814202
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate
CID 14178708
N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68761728

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide (CID 55937335) is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide is COc1ccc2cc([C@H](C)C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is HPGMJGCFCOWASZ-MLCCFXAWSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-14(16-7-8-19-12-20(28-3)10-9-18(19)11-16)22(25)24-15(2)17-5-4-6-21(13-17)29(23,26)27/h4-15H,1-3H3,(H,24,25)(H2,23,26,27)/t14-,15?/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 412.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 55937335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).