N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide

C25H23N3O3S — CID 41079125

IUPACN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCSc3ccccc32)C1=O
InChIInChI=1S/C25H23N3O3S/c1-25(18-11-10-16-6-2-3-7-17(16)14-18)23(30)28(24(31)27-25)15-22(29)26-20-12-13-32-21-9-5-4-8-19(20)21/h2-11,14,20H,12-13,15H2,1H3,(H,26,29)(H,27,31)/t20-,25+/m0/s1
InChIKeyYEOCKYFVDYLCAW-NBGIEHNGSA-N
MW445.54 g/mol
LogP3.96
Rot. Bonds4

About N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 41079125) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID41079125
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCSc3ccccc32)C1=O
InChIInChI=1S/C25H23N3O3S/c1-25(18-11-10-16-6-2-3-7-17(16)14-18)23(30)28(24(31)27-25)15-22(29)26-20-12-13-32-21-9-5-4-8-19(20)21/h2-11,14,20H,12-13,15H2,1H3,(H,26,29)(H,27,31)/t20-,25+/m0/s1
InChIKeyYEOCKYFVDYLCAW-NBGIEHNGSA-N
XLogP3.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41079124
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7883887
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 124731794
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41144802
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 41078944
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55304336
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 41079125) is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCSc3ccccc32)C1=O.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is YEOCKYFVDYLCAW-NBGIEHNGSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-25(18-11-10-16-6-2-3-7-17(16)14-18)23(30)28(24(31)27-25)15-22(29)26-20-12-13-32-21-9-5-4-8-19(20)21/h2-11,14,20H,12-13,15H2,1H3,(H,26,29)(H,27,31)/t20-,25+/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41079125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).