N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide

C27H26N2O2S2 — CID 4994531

IUPACN-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide
SMILESO=C(CSCCCSCC(=O)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C27H26N2O2S2/c30-26(28-24-12-10-20-6-1-3-8-22(20)16-24)18-32-14-5-15-33-19-27(31)29-25-13-11-21-7-2-4-9-23(21)17-25/h1-4,6-13,16-17H,5,14-15,18-19H2,(H,28,30)(H,29,31)
InChIKeyNVNIBURGJJUXHU-UHFFFAOYSA-N
MW474.65 g/mol
LogP6.43
Rot. Bonds10

About N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide

N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide (PubChem CID 4994531) has the molecular formula C27H26N2O2S2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide
PubChem CID4994531
Molecular FormulaC27H26N2O2S2
Molecular Weight474.65 g/mol
Exact Mass474.14
IUPAC NameN-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide
SMILESO=C(CSCCCSCC(=O)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C27H26N2O2S2/c30-26(28-24-12-10-20-6-1-3-8-22(20)16-24)18-32-14-5-15-33-19-27(31)29-25-13-11-21-7-2-4-9-23(21)17-25/h1-4,6-13,16-17H,5,14-15,18-19H2,(H,28,30)(H,29,31)
InChIKeyNVNIBURGJJUXHU-UHFFFAOYSA-N
XLogP6.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfanyl-N-naphthalen-2-ylacetamide
CID 2558119
N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide
CID 1322911
S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate
CID 2343098
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
2-[6-[2-(4-anilinoanilino)-2-oxoethyl]sulfanylhexylsulfanyl]-N-(4-anilinophenyl)acetamide
CID 126713457
[2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 2403487
[3-(naphthalen-2-ylamino)-3-oxopropyl]azanium
CID 7021427
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide?
The IUPAC name of N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide (CID 4994531) is N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide?
The canonical SMILES for N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide is O=C(CSCCCSCC(=O)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide?
The InChIKey is NVNIBURGJJUXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2S2/c30-26(28-24-12-10-20-6-1-3-8-22(20)16-24)18-32-14-5-15-33-19-27(31)29-25-13-11-21-7-2-4-9-23(21)17-25/h1-4,6-13,16-17H,5,14-15,18-19H2,(H,28,30)(H,29,31).
What are the key properties of N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide?
N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide has a molecular weight of 474.65 g/mol, XLogP of 6.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide is sourced from PubChem (CID 4994531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).