2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide

C16H16N2OS — CID 82179146

IUPAC2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide
SMILESNC(=S)Cc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H16N2OS/c17-15(20)10-13-8-4-5-9-14(13)16(19)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20)(H,18,19)
InChIKeyAORMVFBCCWTOIL-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide

2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide (PubChem CID 82179146) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide.

Molecular Properties

Compound Name2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide
PubChem CID82179146
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide
SMILESNC(=S)Cc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H16N2OS/c17-15(20)10-13-8-4-5-9-14(13)16(19)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20)(H,18,19)
InChIKeyAORMVFBCCWTOIL-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 82179158
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
CID 43316161
2-[(benzylamino)methyl]benzamide
CID 22341819
benzene;benzylurea;hydrazine
CID 68793593
N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide
CID 60553593
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide
CID 4848241
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
2-(benzylcarbamothioylamino)acetamide
CID 123762736
N-benzyl-2-(carbamothioylamino)acetamide
CID 86103801

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide?
The IUPAC name of 2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide (CID 82179146) is 2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide.
What is the SMILES notation for 2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide?
The canonical SMILES for 2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide is NC(=S)Cc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide?
The InChIKey is AORMVFBCCWTOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-15(20)10-13-8-4-5-9-14(13)16(19)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20)(H,18,19).
What are the key properties of 2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide?
2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide is sourced from PubChem (CID 82179146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).