2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide

C17H20N2OS — CID 151945338

IUPAC2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide
SMILESCC(N)(Cc1ccc(SCc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C17H20N2OS/c1-17(19,16(18)20)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10H,11-12,19H2,1H3,(H2,18,20)
InChIKeyTVNDEXMGZBBIBV-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.72
Rot. Bonds6

About 2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide

2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide (PubChem CID 151945338) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide
PubChem CID151945338
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide
SMILESCC(N)(Cc1ccc(SCc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C17H20N2OS/c1-17(19,16(18)20)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10H,11-12,19H2,1H3,(H2,18,20)
InChIKeyTVNDEXMGZBBIBV-UHFFFAOYSA-N
XLogP2.72
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide (CID 151945338) is 2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide is CC(N)(Cc1ccc(SCc2ccccc2)cc1)C(N)=O.
What is the InChIKey of 2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide?
The InChIKey is TVNDEXMGZBBIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-17(19,16(18)20)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10H,11-12,19H2,1H3,(H2,18,20).
What are the key properties of 2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide?
2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide has a molecular weight of 300.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide is sourced from PubChem (CID 151945338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).