N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide

C19H23N5O4S — CID 41472125

IUPACN-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide
SMILESCCCn1ccnc1SCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H23N5O4S/c1-4-10-23-11-9-20-18(23)29-12-15(25)22-24-16(26)19(2,21-17(24)27)13-5-7-14(28-3)8-6-13/h5-9,11H,4,10,12H2,1-3H3,(H,21,27)(H,22,25)/t19-/m0/s1
InChIKeyNMGJKWUGEHMXLE-IBGZPJMESA-N
MW417.49 g/mol
LogP1.89
Rot. Bonds8

About N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide

N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide (PubChem CID 41472125) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide
PubChem CID41472125
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC NameN-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide
SMILESCCCn1ccnc1SCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H23N5O4S/c1-4-10-23-11-9-20-18(23)29-12-15(25)22-24-16(26)19(2,21-17(24)27)13-5-7-14(28-3)8-6-13/h5-9,11H,4,10,12H2,1-3H3,(H,21,27)(H,22,25)/t19-/m0/s1
InChIKeyNMGJKWUGEHMXLE-IBGZPJMESA-N
XLogP1.89
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42927432
N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 25351275
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43004534
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42885091
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42411208
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55446432
N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 17234223
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24565024
N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide
CID 9166737
2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 26918483
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24566301
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 92786814

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide (CID 41472125) is N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide is CCCn1ccnc1SCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O.
What is the InChIKey of N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The InChIKey is NMGJKWUGEHMXLE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-4-10-23-11-9-20-18(23)29-12-15(25)22-24-16(26)19(2,21-17(24)27)13-5-7-14(28-3)8-6-13/h5-9,11H,4,10,12H2,1-3H3,(H,21,27)(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide?
N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide has a molecular weight of 417.49 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 41472125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).