2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide

C24H26N2O2S — CID 2222994

IUPAC2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(C)c1ccc(CNC(=O)CSCC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H26N2O2S/c1-17(2)19-9-7-18(8-10-19)14-25-23(27)15-29-16-24(28)26-22-12-11-20-5-3-4-6-21(20)13-22/h3-13,17H,14-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKQNBZYSKIQNPBT-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.95
Rot. Bonds8

About 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide

2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 2222994) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID2222994
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(C)c1ccc(CNC(=O)CSCC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H26N2O2S/c1-17(2)19-9-7-18(8-10-19)14-25-23(27)15-29-16-24(28)26-22-12-11-20-5-3-4-6-21(20)13-22/h3-13,17H,14-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKQNBZYSKIQNPBT-UHFFFAOYSA-N
XLogP4.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102588
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ST032473
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2-{[(dimethylamino)sulfonyl]anilino}-N-(2-naphthyl)acetamide
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3,3'-thiobis[N-(3,4-dimethylphenyl)propanamide]
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N-(4-Ethyl-phenyl)-2-[(3-phenyl-propylcarbamoyl)-methanesulfinyl]-acetamide
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(4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide
CID 46231826
3-(4-Methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one
CID 71819003
N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide
CID 2876962
N-2-Anthrylacetamide
CID 96865
2-Amino-4-(methylthio)-N-(naphthalen-2-yl)butanamide hydrochloride
CID 18408186

Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 2222994) is 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide is CC(C)c1ccc(CNC(=O)CSCC(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is KQNBZYSKIQNPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-17(2)19-9-7-18(8-10-19)14-25-23(27)15-29-16-24(28)26-22-12-11-20-5-3-4-6-21(20)13-22/h3-13,17H,14-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 406.55 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 2222994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).