N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide

C20H24N2OS — CID 5913

IUPACN-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
SMILESCN(C)CCCSc1ccccc1NC(=O)C=Cc1ccccc1
InChIInChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)
InChIKeyRSUVYMGADVXGOU-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.38
Rot. Bonds8

About N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide

N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 5913) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
PubChem CID5913
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
SMILESCN(C)CCCSc1ccccc1NC(=O)C=Cc1ccccc1
InChIInChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)
InChIKeyRSUVYMGADVXGOU-UHFFFAOYSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide (CID 5913) is N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide is CN(C)CCCSc1ccccc1NC(=O)C=Cc1ccccc1.
What is the InChIKey of N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is RSUVYMGADVXGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide?
N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 340.49 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 5913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).