2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide

C11H13NO2S — CID 15272504

IUPAC2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide
SMILESCOc1ccc(C(=O)C(=S)N(C)C)cc1
InChIInChI=1S/C11H13NO2S/c1-12(2)11(15)10(13)8-4-6-9(14-3)7-5-8/h4-7H,1-3H3
InChIKeyLIGKVXQJQXFKPW-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.77
Rot. Bonds3

About 2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide

2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide (PubChem CID 15272504) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide
PubChem CID15272504
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide
SMILESCOc1ccc(C(=O)C(=S)N(C)C)cc1
InChIInChI=1S/C11H13NO2S/c1-12(2)11(15)10(13)8-4-6-9(14-3)7-5-8/h4-7H,1-3H3
InChIKeyLIGKVXQJQXFKPW-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(dimethylamino)-2-fluoro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 70037826
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 12768666
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
(4-methoxyphenyl)-tris(4-methoxybenzoyl)germylmethanone
CID 140911136
ethyl (Z)-4-(dimethylamino)-3-(4-methoxybenzoyl)-2-oxobut-3-enoate
CID 102597026
S-methyl 2-(4-methoxyphenyl)-2-oxoethanethioate
CID 12957088
4-methoxy-N-methyl-N-oxidobenzamide
CID 15105733
2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 163301307
(3S)-4-(4-methoxyphenyl)-N,N,3-trimethyl-4-oxobutanamide
CID 101399645
(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 6295005

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide?
The IUPAC name of 2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide (CID 15272504) is 2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide is COc1ccc(C(=O)C(=S)N(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide?
The InChIKey is LIGKVXQJQXFKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-12(2)11(15)10(13)8-4-6-9(14-3)7-5-8/h4-7H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide?
2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide has a molecular weight of 223.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide is sourced from PubChem (CID 15272504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).