N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide

C24H33NO3S — CID 144677264

IUPACN-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide
SMILESCCCN(CCSC(C(=O)c1ccc(OC)c2ccccc12)C(C)(C)C)C(C)=O
InChIInChI=1S/C24H33NO3S/c1-7-14-25(17(2)26)15-16-29-23(24(3,4)5)22(27)20-12-13-21(28-6)19-11-9-8-10-18(19)20/h8-13,23H,7,14-16H2,1-6H3
InChIKeySTTKCXLAJPDCPC-UHFFFAOYSA-N
MW415.60 g/mol
LogP5.44
Rot. Bonds9

About N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide

N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide (PubChem CID 144677264) has the molecular formula C24H33NO3S and a molecular weight of 415.60 g/mol. Its IUPAC name is N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide
PubChem CID144677264
Molecular FormulaC24H33NO3S
Molecular Weight415.60 g/mol
Exact Mass415.22
IUPAC NameN-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide
SMILESCCCN(CCSC(C(=O)c1ccc(OC)c2ccccc12)C(C)(C)C)C(C)=O
InChIInChI=1S/C24H33NO3S/c1-7-14-25(17(2)26)15-16-29-23(24(3,4)5)22(27)20-12-13-21(28-6)19-11-9-8-10-18(19)20/h8-13,23H,7,14-16H2,1-6H3
InChIKeySTTKCXLAJPDCPC-UHFFFAOYSA-N
XLogP5.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.60
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyethylsulfanyl)-1-[4-(6-methoxynaphthalen-2-yl)oxynaphthalen-1-yl]-3,3-dimethylbutan-1-one
CID 118406558
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
CID 147751459
4-(4-methoxynaphthalen-1-yl)-2,2,3,3-tetramethyl-4-oxobutanoic acid
CID 18323583
[4-(4-methoxynaphthalen-1-yl)-4-oxobutan-2-yl]-methylsulfanium
CID 149125335
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
4,4,4-trifluoro-3-(4-methoxynaphthalen-1-yl)but-2-enoic acid
CID 56993701
N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide
CID 61226258
N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide
CID 18160783
N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide
CID 143922895
1-dodecylsulfanyl-4-methoxynaphthalene
CID 71335030
[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate
CID 59148511

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide?
The IUPAC name of N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide (CID 144677264) is N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide.
What is the SMILES notation for N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide?
The canonical SMILES for N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide is CCCN(CCSC(C(=O)c1ccc(OC)c2ccccc12)C(C)(C)C)C(C)=O.
What is the InChIKey of N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide?
The InChIKey is STTKCXLAJPDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3S/c1-7-14-25(17(2)26)15-16-29-23(24(3,4)5)22(27)20-12-13-21(28-6)19-11-9-8-10-18(19)20/h8-13,23H,7,14-16H2,1-6H3.
What are the key properties of N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide?
N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide has a molecular weight of 415.60 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-methoxynaphthalen-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]sulfanylethyl]-N-propylacetamide is sourced from PubChem (CID 144677264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).