N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide

C14H19NO2S — CID 11118984

IUPACN-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide
SMILESC=CC(=S)N(CCOC)Cc1ccc(OC)cc1
InChIInChI=1S/C14H19NO2S/c1-4-14(18)15(9-10-16-2)11-12-5-7-13(17-3)8-6-12/h4-8H,1,9-11H2,2-3H3
InChIKeySWRAFBXLSKZNRI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.66
Rot. Bonds7

About N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide

N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide (PubChem CID 11118984) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide
PubChem CID11118984
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide
SMILESC=CC(=S)N(CCOC)Cc1ccc(OC)cc1
InChIInChI=1S/C14H19NO2S/c1-4-14(18)15(9-10-16-2)11-12-5-7-13(17-3)8-6-12/h4-8H,1,9-11H2,2-3H3
InChIKeySWRAFBXLSKZNRI-UHFFFAOYSA-N
XLogP2.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.66
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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Related Compounds

1-benzyl-1-(2-methoxyethyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 18274497
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
benzyl-[(4-methoxyphenyl)methyl]carbamodithioic acid
CID 122204874
1-benzyl-3-ethyl-1-[(4-methoxyphenyl)methyl]thiourea
CID 17385327
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
N-(2-hydroxyethyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 113339829
(2S)-1-[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 93160585
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate
CID 101441426
(2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 131891978
methyl 3-[but-3-enyl-[(4-methoxyphenyl)methyl]carbamoyl]but-3-enoate
CID 142669945

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide (CID 11118984) is N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide is C=CC(=S)N(CCOC)Cc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide?
The InChIKey is SWRAFBXLSKZNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-4-14(18)15(9-10-16-2)11-12-5-7-13(17-3)8-6-12/h4-8H,1,9-11H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide?
N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide has a molecular weight of 265.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]prop-2-enethioamide is sourced from PubChem (CID 11118984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).