N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide

C15H22N2O2S — CID 62921386

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(CC)CCC(N)=S)c1
InChIInChI=1S/C15H22N2O2S/c1-3-10-19-13-7-5-6-12(11-13)15(18)17(4-2)9-8-14(16)20/h5-7,11H,3-4,8-10H2,1-2H3,(H2,16,20)
InChIKeyAWFCCFDJMRRJBG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.61
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide (PubChem CID 62921386) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
PubChem CID62921386
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(CC)CCC(N)=S)c1
InChIInChI=1S/C15H22N2O2S/c1-3-10-19-13-7-5-6-12(11-13)15(18)17(4-2)9-8-14(16)20/h5-7,11H,3-4,8-10H2,1-2H3,(H2,16,20)
InChIKeyAWFCCFDJMRRJBG-UHFFFAOYSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide
CID 54789581
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-3-propoxybenzamide
CID 63223603
N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
CID 62919665
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-propoxybenzamide
CID 22311435
N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493616
3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
CID 13387018
2-(diethylamino)ethyl 3-propoxybenzoate
CID 175666282
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
CID 114026066
N-(3-amino-3-sulfanylidenepropyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 55172473
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide
CID 76977901
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide (CID 62921386) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide is CCCOc1cccc(C(=O)N(CC)CCC(N)=S)c1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide?
The InChIKey is AWFCCFDJMRRJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-10-19-13-7-5-6-12(11-13)15(18)17(4-2)9-8-14(16)20/h5-7,11H,3-4,8-10H2,1-2H3,(H2,16,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide has a molecular weight of 294.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide is sourced from PubChem (CID 62921386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).