N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide

C17H26N2OS — CID 62367429

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCc1cccc(CCC(=O)N(CCC(N)=S)CC(C)C)c1
InChIInChI=1S/C17H26N2OS/c1-13(2)12-19(10-9-16(18)21)17(20)8-7-15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H2,18,21)
InChIKeySZWAWPZHIMCNLZ-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.09
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide

N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide (PubChem CID 62367429) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
PubChem CID62367429
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCc1cccc(CCC(=O)N(CCC(N)=S)CC(C)C)c1
InChIInChI=1S/C17H26N2OS/c1-13(2)12-19(10-9-16(18)21)17(20)8-7-15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H2,18,21)
InChIKeySZWAWPZHIMCNLZ-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide 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

3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(3-methylphenyl)propanamide
CID 107490945
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
3-[3-(3-methoxyphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119189983
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108900811
ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
CID 61073689
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
3-(3-aminophenyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 80694736
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-(3-methylphenyl)acetamide
CID 55067661

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide (CID 62367429) is N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide is Cc1cccc(CCC(=O)N(CCC(N)=S)CC(C)C)c1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
The InChIKey is SZWAWPZHIMCNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-13(2)12-19(10-9-16(18)21)17(20)8-7-15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H2,18,21).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 306.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 62367429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).