3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide

C19H22N2OS — CID 4669944

IUPAC3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide
SMILESCN(C)C=C(C(=S)N(C)C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2OS/c1-20(2)14-18(19(23)21(3)4)15-10-12-17(13-11-15)22-16-8-6-5-7-9-16/h5-14H,1-4H3
InChIKeyFUKSYUDCYOLLAT-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.27
Rot. Bonds5

About 3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide

3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide (PubChem CID 4669944) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide.

Molecular Properties

Compound Name3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide
PubChem CID4669944
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide
SMILESCN(C)C=C(C(=S)N(C)C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2OS/c1-20(2)14-18(19(23)21(3)4)15-10-12-17(13-11-15)22-16-8-6-5-7-9-16/h5-14H,1-4H3
InChIKeyFUKSYUDCYOLLAT-UHFFFAOYSA-N
XLogP4.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide?
The IUPAC name of 3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide (CID 4669944) is 3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide.
What is the SMILES notation for 3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide?
The canonical SMILES for 3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide is CN(C)C=C(C(=S)N(C)C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide?
The InChIKey is FUKSYUDCYOLLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-20(2)14-18(19(23)21(3)4)15-10-12-17(13-11-15)22-16-8-6-5-7-9-16/h5-14H,1-4H3.
What are the key properties of 3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide?
3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide has a molecular weight of 326.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide is sourced from PubChem (CID 4669944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).