N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide

C15H24N2OS — CID 107020116

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide
SMILESCN(C)CC(C)(C)CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H24N2OS/c1-15(2,11-17(3)4)10-16-14(18)9-12-5-7-13(19)8-6-12/h5-8,19H,9-11H2,1-4H3,(H,16,18)
InChIKeyBVECHCPCVRDCKK-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.22
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 107020116) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID107020116
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide
SMILESCN(C)CC(C)(C)CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H24N2OS/c1-15(2,11-17(3)4)10-16-14(18)9-12-5-7-13(19)8-6-12/h5-8,19H,9-11H2,1-4H3,(H,16,18)
InChIKeyBVECHCPCVRDCKK-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 8502117
N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide
CID 106149651
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139459
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86929314
3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86916563
2-(5-amino-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 107337382
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-pyridin-4-ylacetamide
CID 103960990
N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide
CID 107035066
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 78848142
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-ethoxyphenoxy)acetamide
CID 134008150

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide (CID 107020116) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide is CN(C)CC(C)(C)CNC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is BVECHCPCVRDCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-15(2,11-17(3)4)10-16-14(18)9-12-5-7-13(19)8-6-12/h5-8,19H,9-11H2,1-4H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 280.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107020116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).