2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

C20H24N2O2S — CID 585474

IUPAC2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)SCC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-13-10-14(2)19(15(3)11-13)22-20(24)16(4)25-12-18(23)21-17-8-6-5-7-9-17/h5-11,16H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyZMJAPKSMVGGKSN-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.31
Rot. Bonds6

About 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 585474) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID585474
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)SCC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-13-10-14(2)19(15(3)11-13)22-20(24)16(4)25-12-18(23)21-17-8-6-5-7-9-17/h5-11,16H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyZMJAPKSMVGGKSN-UHFFFAOYSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide (CID 585474) is 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)SCC(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is ZMJAPKSMVGGKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13-10-14(2)19(15(3)11-13)22-20(24)16(4)25-12-18(23)21-17-8-6-5-7-9-17/h5-11,16H,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 356.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 585474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).