2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide

C20H24N2O2S — CID 1370212

IUPAC2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-15(2)12-21-20(24)17-10-6-7-11-18(17)22-19(23)14-25-13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQOVRECQMKUADAH-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.94
Rot. Bonds8

About 2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide

2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide (PubChem CID 1370212) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide
PubChem CID1370212
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-15(2)12-21-20(24)17-10-6-7-11-18(17)22-19(23)14-25-13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQOVRECQMKUADAH-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide (CID 1370212) is 2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide?
The InChIKey is QOVRECQMKUADAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15(2)12-21-20(24)17-10-6-7-11-18(17)22-19(23)14-25-13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide?
2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide has a molecular weight of 356.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylsulfanylacetyl)amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1370212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).