N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide

C15H19N3OS — CID 106276756

IUPACN,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCNC(=O)C(C)(C)Cn1c(-c2ccccc2)c[nH]c1=S
InChIInChI=1S/C15H19N3OS/c1-15(2,13(19)16-3)10-18-12(9-17-14(18)20)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyULGZHZXZNAHZII-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.98
Rot. Bonds4

About N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide

N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide (PubChem CID 106276756) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
PubChem CID106276756
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCNC(=O)C(C)(C)Cn1c(-c2ccccc2)c[nH]c1=S
InChIInChI=1S/C15H19N3OS/c1-15(2,13(19)16-3)10-18-12(9-17-14(18)20)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyULGZHZXZNAHZII-UHFFFAOYSA-N
XLogP2.98
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide (CID 106276756) is N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide is CNC(=O)C(C)(C)Cn1c(-c2ccccc2)c[nH]c1=S.
What is the InChIKey of N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The InChIKey is ULGZHZXZNAHZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,13(19)16-3)10-18-12(9-17-14(18)20)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide has a molecular weight of 289.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide is sourced from PubChem (CID 106276756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).