N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C17H23N3O4S — CID 2402895

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)N[C@@H](CCSC)C2=O)cc1
InChIInChI=1S/C17H23N3O4S/c1-24-13-5-3-12(4-6-13)7-9-18-15(21)11-20-16(22)14(8-10-25-2)19-17(20)23/h3-6,14H,7-11H2,1-2H3,(H,18,21)(H,19,23)/t14-/m0/s1
InChIKeyRMVZQSIOALKALR-AWEZNQCLSA-N
MW365.46 g/mol
LogP1.03
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2402895) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2402895
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)N[C@@H](CCSC)C2=O)cc1
InChIInChI=1S/C17H23N3O4S/c1-24-13-5-3-12(4-6-13)7-9-18-15(21)11-20-16(22)14(8-10-25-2)19-17(20)23/h3-6,14H,7-11H2,1-2H3,(H,18,21)(H,19,23)/t14-/m0/s1
InChIKeyRMVZQSIOALKALR-AWEZNQCLSA-N
XLogP1.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2412287
N-[2-(4-hydroxyphenyl)ethyl]-3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638035
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17424171
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40895375
N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210460
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2598211
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210527
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711
3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 42962374
N-[2-(dimethylamino)ethyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531975
2-(2,4-dioxo-5-propan-2-ylidene-1,3-thiazolidin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18808977

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2402895) is N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(CCNC(=O)CN2C(=O)N[C@@H](CCSC)C2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is RMVZQSIOALKALR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-24-13-5-3-12(4-6-13)7-9-18-15(21)11-20-16(22)14(8-10-25-2)19-17(20)23/h3-6,14H,7-11H2,1-2H3,(H,18,21)(H,19,23)/t14-/m0/s1.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2402895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).