2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide

C14H19N3O3S — CID 71806744

IUPAC2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C14H19N3O3S/c18-12-15-5-6-17(12)13(19)16-10-14(3-7-20-8-4-14)11-2-1-9-21-11/h1-2,9H,3-8,10H2,(H,15,18)(H,16,19)
InChIKeyCMOVMXSYMLUBKV-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.53
Rot. Bonds3

About 2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide

2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide (PubChem CID 71806744) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide
PubChem CID71806744
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C14H19N3O3S/c18-12-15-5-6-17(12)13(19)16-10-14(3-7-20-8-4-14)11-2-1-9-21-11/h1-2,9H,3-8,10H2,(H,15,18)(H,16,19)
InChIKeyCMOVMXSYMLUBKV-UHFFFAOYSA-N
XLogP1.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806728
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 72717858
N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide
CID 119799168
4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280
2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943676
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806746
2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
CID 119102036

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide?
The IUPAC name of 2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide (CID 71806744) is 2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide?
The canonical SMILES for 2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide is O=C1NCCN1C(=O)NCC1(c2cccs2)CCOCC1.
What is the InChIKey of 2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide?
The InChIKey is CMOVMXSYMLUBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-12-15-5-6-17(12)13(19)16-10-14(3-7-20-8-4-14)11-2-1-9-21-11/h1-2,9H,3-8,10H2,(H,15,18)(H,16,19).
What are the key properties of 2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide?
2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide is sourced from PubChem (CID 71806744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).