3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide

C25H25N3O3S — CID 97098942

IUPAC3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCCCc1ccc([C@H](NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2cccs2)cc1
InChIInChI=1S/C25H25N3O3S/c1-3-6-16-10-12-17(13-11-16)21(20-9-5-14-32-20)26-22(29)18-7-4-8-19(15-18)25(2)23(30)27-24(31)28-25/h4-5,7-15,21H,3,6H2,1-2H3,(H,26,29)(H2,27,28,30,31)/t21-,25+/m0/s1
InChIKeyGRZITYBQZWAXEH-SQJMNOBHSA-N
MW447.56 g/mol
LogP4.27
Rot. Bonds7

About 3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide

3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 97098942) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID97098942
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCCCc1ccc([C@H](NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2cccs2)cc1
InChIInChI=1S/C25H25N3O3S/c1-3-6-16-10-12-17(13-11-16)21(20-9-5-14-32-20)26-22(29)18-7-4-8-19(15-18)25(2)23(30)27-24(31)28-25/h4-5,7-15,21H,3,6H2,1-2H3,(H,26,29)(H2,27,28,30,31)/t21-,25+/m0/s1
InChIKeyGRZITYBQZWAXEH-SQJMNOBHSA-N
XLogP4.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide (CID 97098942) is 3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide is CCCc1ccc([C@H](NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2cccs2)cc1.
What is the InChIKey of 3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is GRZITYBQZWAXEH-SQJMNOBHSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-3-6-16-10-12-17(13-11-16)21(20-9-5-14-32-20)26-22(29)18-7-4-8-19(15-18)25(2)23(30)27-24(31)28-25/h4-5,7-15,21H,3,6H2,1-2H3,(H,26,29)(H2,27,28,30,31)/t21-,25+/m0/s1.
What are the key properties of 3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide?
3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 97098942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).