N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide

C16H24N2OS — CID 82984600

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C16H24N2OS/c1-3-8-13(9-4-2)16(19)18-14(15(17)20)12-10-6-5-7-11-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyOQKMEGRNOBODDM-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.35
Rot. Bonds8

About N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide (PubChem CID 82984600) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide
PubChem CID82984600
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C16H24N2OS/c1-3-8-13(9-4-2)16(19)18-14(15(17)20)12-10-6-5-7-11-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyOQKMEGRNOBODDM-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-1-phenylethyl)-2-propylpentanamide
CID 82987102
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide
CID 61119625
N-[cyano(phenyl)methyl]-2-propylpentanamide
CID 82984597
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-phenylbutanamide
CID 61120695
N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide
CID 72705315
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
CID 82983954
(2S)-2-(2-ethylhexanoylamino)-2-phenylacetic acid
CID 104896986
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
ethyl (2S)-3-phenyl-2-(2-propylpentanoylamino)propanoate
CID 10829459

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide (CID 82984600) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide is CCCC(CCC)C(=O)NC(C(N)=S)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide?
The InChIKey is OQKMEGRNOBODDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-8-13(9-4-2)16(19)18-14(15(17)20)12-10-6-5-7-11-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide has a molecular weight of 292.45 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide is sourced from PubChem (CID 82984600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).