N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide

C17H24N2OS — CID 2976505

IUPACN-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCCC1)C(=S)NCCc1ccccc1
InChIInChI=1S/C17H24N2OS/c20-16(19-15-10-6-1-2-7-11-15)17(21)18-13-12-14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2,(H,18,21)(H,19,20)
InChIKeyFTCUWTNHNWCHCK-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.99
Rot. Bonds4

About N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide

N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide (PubChem CID 2976505) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide
PubChem CID2976505
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCCC1)C(=S)NCCc1ccccc1
InChIInChI=1S/C17H24N2OS/c20-16(19-15-10-6-1-2-7-11-15)17(21)18-13-12-14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2,(H,18,21)(H,19,20)
InChIKeyFTCUWTNHNWCHCK-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The IUPAC name of N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide (CID 2976505) is N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide.
What is the SMILES notation for N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The canonical SMILES for N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide is O=C(NC1CCCCCC1)C(=S)NCCc1ccccc1.
What is the InChIKey of N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The InChIKey is FTCUWTNHNWCHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c20-16(19-15-10-6-1-2-7-11-15)17(21)18-13-12-14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2,(H,18,21)(H,19,20).
What are the key properties of N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide has a molecular weight of 304.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-phenylethylamino)-2-sulfanylideneacetamide is sourced from PubChem (CID 2976505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).