2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

C24H26N2O2S — CID 3453632

IUPAC2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)SCC(=O)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C24H26N2O2S/c1-15-11-16(2)23(17(3)12-15)26-24(28)18(4)29-14-22(27)25-21-10-9-19-7-5-6-8-20(19)13-21/h5-13,18H,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyDIZDVFAYWXWTHT-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.46
Rot. Bonds6

About 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 3453632) 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-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID3453632
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)SCC(=O)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C24H26N2O2S/c1-15-11-16(2)23(17(3)12-15)26-24(28)18(4)29-14-22(27)25-21-10-9-19-7-5-6-8-20(19)13-21/h5-13,18H,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyDIZDVFAYWXWTHT-UHFFFAOYSA-N
XLogP5.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide (CID 3453632) is 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)SCC(=O)Nc2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is DIZDVFAYWXWTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-15-11-16(2)23(17(3)12-15)26-24(28)18(4)29-14-22(27)25-21-10-9-19-7-5-6-8-20(19)13-21/h5-13,18H,14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 406.55 g/mol, XLogP of 5.46, 6 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-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 3453632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).