N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide

C18H17N3O2S — CID 90552459

IUPACN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC#Cc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C18H17N3O2S/c22-17(13-16-4-2-12-24-16)19-9-1-3-14-5-7-15(8-6-14)21-11-10-20-18(21)23/h2,4-8,12H,9-11,13H2,(H,19,22)(H,20,23)
InChIKeyQWTPXSOKFQJAMD-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.99
Rot. Bonds4

About N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide

N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide (PubChem CID 90552459) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide
PubChem CID90552459
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC#Cc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C18H17N3O2S/c22-17(13-16-4-2-12-24-16)19-9-1-3-14-5-7-15(8-6-14)21-11-10-20-18(21)23/h2,4-8,12H,9-11,13H2,(H,19,22)(H,20,23)
InChIKeyQWTPXSOKFQJAMD-UHFFFAOYSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide
CID 90552334
3,5-dimethyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90552376
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90552517
4-(2-oxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 51074825
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide
CID 90552360
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide
CID 90552526
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 47036521
3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90552532
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
CID 90552518
1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide
CID 90552343
1-(2-ethoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554539
1-(3,5-dimethoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554549

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide (CID 90552459) is N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC#Cc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide?
The InChIKey is QWTPXSOKFQJAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(13-16-4-2-12-24-16)19-9-1-3-14-5-7-15(8-6-14)21-11-10-20-18(21)23/h2,4-8,12H,9-11,13H2,(H,19,22)(H,20,23).
What are the key properties of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide?
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide has a molecular weight of 339.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 90552459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).