2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C24H23N3O4S — CID 99785751

IUPAC2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CN1C(=O)N[C@@H](c2ccccc2OCc2ccccc2)C1=O
InChIInChI=1S/C24H23N3O4S/c1-26(14-18-10-7-13-32-18)21(28)15-27-23(29)22(25-24(27)30)19-11-5-6-12-20(19)31-16-17-8-3-2-4-9-17/h2-13,22H,14-16H2,1H3,(H,25,30)/t22-/m0/s1
InChIKeyMAKCGAZCKABRPI-QFIPXVFZSA-N
MW449.53 g/mol
LogP3.58
Rot. Bonds8

About 2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 99785751) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID99785751
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CN1C(=O)N[C@@H](c2ccccc2OCc2ccccc2)C1=O
InChIInChI=1S/C24H23N3O4S/c1-26(14-18-10-7-13-32-18)21(28)15-27-23(29)22(25-24(27)30)19-11-5-6-12-20(19)31-16-17-8-3-2-4-9-17/h2-13,22H,14-16H2,1H3,(H,25,30)/t22-/m0/s1
InChIKeyMAKCGAZCKABRPI-QFIPXVFZSA-N
XLogP3.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 99785751) is 2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@H](c2ccccc2OCc2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MAKCGAZCKABRPI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-26(14-18-10-7-13-32-18)21(28)15-27-23(29)22(25-24(27)30)19-11-5-6-12-20(19)31-16-17-8-3-2-4-9-17/h2-13,22H,14-16H2,1H3,(H,25,30)/t22-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 449.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 99785751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).