3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide

C15H21N3O3S — CID 154755933

IUPAC3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide
SMILESCOCCN1CN(C(=O)NCc2ccc(SC)cc2)CC1=O
InChIInChI=1S/C15H21N3O3S/c1-21-8-7-17-11-18(10-14(17)19)15(20)16-9-12-3-5-13(22-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,16,20)
InChIKeyXSNPYIFRQZWEJL-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.37
Rot. Bonds6

About 3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide

3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide (PubChem CID 154755933) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide
PubChem CID154755933
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide
SMILESCOCCN1CN(C(=O)NCc2ccc(SC)cc2)CC1=O
InChIInChI=1S/C15H21N3O3S/c1-21-8-7-17-11-18(10-14(17)19)15(20)16-9-12-3-5-13(22-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,16,20)
InChIKeyXSNPYIFRQZWEJL-UHFFFAOYSA-N
XLogP1.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60580851
1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
CID 91841931
(5S)-7-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97205006
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
4-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperazine-1-carboxamide
CID 119070259
3-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)imidazolidin-4-one
CID 146083959
8-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-(2-methylsulfanylethyl)-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 66788392
N-(2,2-dimethyloxan-4-yl)-3-(2-methoxyethyl)-4-oxoimidazolidine-1-carboxamide
CID 154789786
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
2-[(6S,9aS)-1-[(4-fluorophenyl)methylcarbamoyl]-8-(2-methoxyethyl)-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]acetic acid
CID 58887907
1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one
CID 132970563
N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113036

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide (CID 154755933) is 3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide is COCCN1CN(C(=O)NCc2ccc(SC)cc2)CC1=O.
What is the InChIKey of 3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide?
The InChIKey is XSNPYIFRQZWEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-21-8-7-17-11-18(10-14(17)19)15(20)16-9-12-3-5-13(22-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,16,20).
What are the key properties of 3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide?
3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 154755933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).