2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide

C27H31N3OS — CID 101153293

IUPAC2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide
SMILESCN(C(=S)C(C)(C)NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H31N3OS/c1-27(2,26(32)29(3)24-17-11-6-12-18-24)28-25(31)21-30(19-22-13-7-4-8-14-22)20-23-15-9-5-10-16-23/h4-18H,19-21H2,1-3H3,(H,28,31)
InChIKeyMAKJGFWARUZEQZ-UHFFFAOYSA-N
MW445.63 g/mol
LogP5.05
Rot. Bonds9

About 2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide

2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide (PubChem CID 101153293) has the molecular formula C27H31N3OS and a molecular weight of 445.63 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide
PubChem CID101153293
Molecular FormulaC27H31N3OS
Molecular Weight445.63 g/mol
Exact Mass445.22
IUPAC Name2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide
SMILESCN(C(=S)C(C)(C)NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H31N3OS/c1-27(2,26(32)29(3)24-17-11-6-12-18-24)28-25(31)21-30(19-22-13-7-4-8-14-22)20-23-15-9-5-10-16-23/h4-18H,19-21H2,1-3H3,(H,28,31)
InChIKeyMAKJGFWARUZEQZ-UHFFFAOYSA-N
XLogP5.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.63
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
CID 119522718
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide
CID 102177116
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
1-cyclohexyl-2-(dibenzylamino)ethanone
CID 130167125
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
CID 119135307
2-(dibenzylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 18170938

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide?
The IUPAC name of 2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide (CID 101153293) is 2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide.
What is the SMILES notation for 2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide?
The canonical SMILES for 2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide is CN(C(=S)C(C)(C)NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide?
The InChIKey is MAKJGFWARUZEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3OS/c1-27(2,26(32)29(3)24-17-11-6-12-18-24)28-25(31)21-30(19-22-13-7-4-8-14-22)20-23-15-9-5-10-16-23/h4-18H,19-21H2,1-3H3,(H,28,31).
What are the key properties of 2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide?
2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide has a molecular weight of 445.63 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide is sourced from PubChem (CID 101153293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).