N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide

C15H24N2OS — CID 107020132

IUPACN-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
SMILESCCN(CC)C(CNC(=O)CCS)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-3-17(4-2)14(12-16-15(18)10-11-19)13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3,(H,16,18)
InChIKeyNKJGMLCMWNLRQV-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.51
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide

N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide (PubChem CID 107020132) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
PubChem CID107020132
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
SMILESCCN(CC)C(CNC(=O)CCS)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-3-17(4-2)14(12-16-15(18)10-11-19)13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3,(H,16,18)
InChIKeyNKJGMLCMWNLRQV-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119399175
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110622036
N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-methylpentanamide
CID 75386938
N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 18167087
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-2-sulfanylbutanamide
CID 107020130
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
N-[2-(diethylamino)-2-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 112504225
N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46528972
N-[2-(diethylamino)-2-phenylethyl]-2-(2-methylphenoxy)acetamide
CID 18167114

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide (CID 107020132) is N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide is CCN(CC)C(CNC(=O)CCS)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide?
The InChIKey is NKJGMLCMWNLRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-17(4-2)14(12-16-15(18)10-11-19)13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide?
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide has a molecular weight of 280.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 107020132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).