(Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide

C21H26N2O2S — CID 53349662

IUPAC(Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide
SMILESCCN(/C=C(/C(=O)NCc1ccccc1)S(=O)Cc1ccccc1)CC
InChIInChI=1S/C21H26N2O2S/c1-3-23(4-2)16-20(26(25)17-19-13-9-6-10-14-19)21(24)22-15-18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,22,24)/b20-16-
InChIKeyMDHBTTLLDQKBMU-SILNSSARSA-N
MW370.52 g/mol
LogP3.43
Rot. Bonds9

About (Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide

(Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide (PubChem CID 53349662) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is (Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide
PubChem CID53349662
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name(Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide
SMILESCCN(/C=C(/C(=O)NCc1ccccc1)S(=O)Cc1ccccc1)CC
InChIInChI=1S/C21H26N2O2S/c1-3-23(4-2)16-20(26(25)17-19-13-9-6-10-14-19)21(24)22-15-18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,22,24)/b20-16-
InChIKeyMDHBTTLLDQKBMU-SILNSSARSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzylsulfinyl-N,N-diethylformamide
CID 57071147
N'-benzyloxamide
CID 561416
N-benzyl-2-(diethylamino)acetamide
CID 969777
(Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide
CID 108842279
3-benzyl-1,1-diethylthiourea
CID 10922120
N-benzyl-2-methylidenepentanamide
CID 130015312
(Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108842244
(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108842235
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
benzylcarbamic acid;N,N-dimethylformamide
CID 175901151
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide (CID 53349662) is (Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide is CCN(/C=C(/C(=O)NCc1ccccc1)S(=O)Cc1ccccc1)CC.
What is the InChIKey of (Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide?
The InChIKey is MDHBTTLLDQKBMU-SILNSSARSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-3-23(4-2)16-20(26(25)17-19-13-9-6-10-14-19)21(24)22-15-18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,22,24)/b20-16-.
What are the key properties of (Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide?
(Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide has a molecular weight of 370.52 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-benzylsulfinyl-3-(diethylamino)prop-2-enamide is sourced from PubChem (CID 53349662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).