2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide

C22H26N4O3S — CID 92570518

IUPAC2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide
SMILESO=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)N[C@@H](Cc1ccsc1)c1cccnc1
InChIInChI=1S/C22H26N4O3S/c27-20(12-19-21(28)26(22(29)25-19)17-6-2-1-3-7-17)24-18(11-15-8-10-30-14-15)16-5-4-9-23-13-16/h4-5,8-10,13-14,17-19H,1-3,6-7,11-12H2,(H,24,27)(H,25,29)/t18-,19+/m0/s1
InChIKeyCCINYMOOAWXPPT-RBUKOAKNSA-N
MW426.54 g/mol
LogP3.19
Rot. Bonds7

About 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide

2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide (PubChem CID 92570518) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide
PubChem CID92570518
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide
SMILESO=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)N[C@@H](Cc1ccsc1)c1cccnc1
InChIInChI=1S/C22H26N4O3S/c27-20(12-19-21(28)26(22(29)25-19)17-6-2-1-3-7-17)24-18(11-15-8-10-30-14-15)16-5-4-9-23-13-16/h4-5,8-10,13-14,17-19H,1-3,6-7,11-12H2,(H,24,27)(H,25,29)/t18-,19+/m0/s1
InChIKeyCCINYMOOAWXPPT-RBUKOAKNSA-N
XLogP3.19
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
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-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide (CID 92570518) is 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide is O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)N[C@@H](Cc1ccsc1)c1cccnc1.
What is the InChIKey of 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide?
The InChIKey is CCINYMOOAWXPPT-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H26N4O3S/c27-20(12-19-21(28)26(22(29)25-19)17-6-2-1-3-7-17)24-18(11-15-8-10-30-14-15)16-5-4-9-23-13-16/h4-5,8-10,13-14,17-19H,1-3,6-7,11-12H2,(H,24,27)(H,25,29)/t18-,19+/m0/s1.
What are the key properties of 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide?
2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 92570518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).