N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide

C17H21N3O3S — CID 135006876

IUPACN-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)c1c(O)nc[nH]c1=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O3S/c21-14(20-11-5-2-1-3-6-11)9-12(13-7-4-8-24-13)15-16(22)18-10-19-17(15)23/h4,7-8,10-12H,1-3,5-6,9H2,(H,20,21)(H2,18,19,22,23)
InChIKeyDUMOACNGMNVBET-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.51
Rot. Bonds5

About N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide

N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide (PubChem CID 135006876) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide
PubChem CID135006876
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)c1c(O)nc[nH]c1=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O3S/c21-14(20-11-5-2-1-3-6-11)9-12(13-7-4-8-24-13)15-16(22)18-10-19-17(15)23/h4,7-8,10-12H,1-3,5-6,9H2,(H,20,21)(H2,18,19,22,23)
InChIKeyDUMOACNGMNVBET-UHFFFAOYSA-N
XLogP2.51
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide (CID 135006876) is N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide is O=C(CC(c1cccs1)c1c(O)nc[nH]c1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is DUMOACNGMNVBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-14(20-11-5-2-1-3-6-11)9-12(13-7-4-8-24-13)15-16(22)18-10-19-17(15)23/h4,7-8,10-12H,1-3,5-6,9H2,(H,20,21)(H2,18,19,22,23).
What are the key properties of N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide?
N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 347.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 135006876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).