3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide

C19H22N2O2S — CID 51682775

IUPAC3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide
SMILESCOc1ccc(N(C(=S)C=CN(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22N2O2S/c1-20(2)14-13-19(24)21(15-5-9-17(22-3)10-6-15)16-7-11-18(23-4)12-8-16/h5-14H,1-4H3
InChIKeyBDTXOAUVWGJRBY-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.24
Rot. Bonds6

About 3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide

3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide (PubChem CID 51682775) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide.

Molecular Properties

Compound Name3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide
PubChem CID51682775
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide
SMILESCOc1ccc(N(C(=S)C=CN(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22N2O2S/c1-20(2)14-13-19(24)21(15-5-9-17(22-3)10-6-15)16-7-11-18(23-4)12-8-16/h5-14H,1-4H3
InChIKeyBDTXOAUVWGJRBY-UHFFFAOYSA-N
XLogP4.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 175476332
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CID 6075453
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 177034589
1-(4-methoxyphenyl)-1,2,2-trimethylhydrazine
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N-ethenyl-4-methoxy-N-methylaniline
CID 142070059
N,N-bis(4-methoxyphenyl)-2-oxopropanamide;ethane
CID 143471525
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CID 116508181
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
1,1-bis(4-methoxyphenyl)guanidine
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2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide?
The IUPAC name of 3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide (CID 51682775) is 3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide.
What is the SMILES notation for 3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide?
The canonical SMILES for 3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide is COc1ccc(N(C(=S)C=CN(C)C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide?
The InChIKey is BDTXOAUVWGJRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-20(2)14-13-19(24)21(15-5-9-17(22-3)10-6-15)16-7-11-18(23-4)12-8-16/h5-14H,1-4H3.
What are the key properties of 3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide?
3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide has a molecular weight of 342.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide is sourced from PubChem (CID 51682775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).