4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

C26H21N5O4S — CID 55602037

IUPAC4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)C1=O
InChIInChI=1S/C26H21N5O4S/c1-26(19-9-6-16-4-2-3-5-18(16)14-19)23(34)31(25(35)30-26)15-21(32)28-20-10-7-17(8-11-20)22(33)29-24-27-12-13-36-24/h2-14H,15H2,1H3,(H,28,32)(H,30,35)(H,27,29,33)
InChIKeySHTMDZJOFRFTMP-UHFFFAOYSA-N
MW499.55 g/mol
LogP3.95
Rot. Bonds6

About 4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 55602037) has the molecular formula C26H21N5O4S and a molecular weight of 499.55 g/mol. Its IUPAC name is 4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID55602037
Molecular FormulaC26H21N5O4S
Molecular Weight499.55 g/mol
Exact Mass499.13
IUPAC Name4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)C1=O
InChIInChI=1S/C26H21N5O4S/c1-26(19-9-6-16-4-2-3-5-18(16)14-19)23(34)31(25(35)30-26)15-21(32)28-20-10-7-17(8-11-20)22(33)29-24-27-12-13-36-24/h2-14H,15H2,1H3,(H,28,32)(H,30,35)(H,27,29,33)
InChIKeySHTMDZJOFRFTMP-UHFFFAOYSA-N
XLogP3.95
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 98396447
methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate
CID 55396903
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 25436664
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874
N-(1,3-thiazol-2-yl)-4-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzamide
CID 55602032
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 2580694
N-[4-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2107483
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30765917
2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide
CID 24657513
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 9246846
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 18279498

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 55602037) is 4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)C1=O.
What is the InChIKey of 4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is SHTMDZJOFRFTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4S/c1-26(19-9-6-16-4-2-3-5-18(16)14-19)23(34)31(25(35)30-26)15-21(32)28-20-10-7-17(8-11-20)22(33)29-24-27-12-13-36-24/h2-14H,15H2,1H3,(H,28,32)(H,30,35)(H,27,29,33).
What are the key properties of 4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 499.55 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 55602037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).