2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide

C18H21NO2S — CID 9457130

IUPAC2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCC(C)(C)C(=O)CSCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H21NO2S/c1-18(2,3)16(20)11-22-12-17(21)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyRAVDRCOTAWLSFA-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.13
Rot. Bonds5

About 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide

2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 9457130) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID9457130
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCC(C)(C)C(=O)CSCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H21NO2S/c1-18(2,3)16(20)11-22-12-17(21)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyRAVDRCOTAWLSFA-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9423860
N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9422642
N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9456862
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-naphthalen-1-ylacetamide
CID 9457671
(2S)-2-bromo-3,3-dimethyl-N-[3-(naphthalen-1-ylamino)-3-oxopropyl]butanamide
CID 40803252
2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide
CID 23987823
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
N-(1,3-benzodioxol-5-yl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9457994
2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
CID 79629217
3,3-dimethyl-1-naphthalen-1-ylsulfanylbutan-2-one
CID 40645894
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 8987652

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide (CID 9457130) is 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide is CC(C)(C)C(=O)CSCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is RAVDRCOTAWLSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-18(2,3)16(20)11-22-12-17(21)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 315.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 9457130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).