N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide

C20H25N3O3S — CID 136687483

IUPACN-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc(COc2ccccc2)cc(=O)[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C20H25N3O3S/c1-14(19(25)21-15-8-4-2-5-9-15)27-20-22-16(12-18(24)23-20)13-26-17-10-6-3-7-11-17/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyNPQOZVDMXUWLMK-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.28
Rot. Bonds7

About N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide

N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide (PubChem CID 136687483) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide
PubChem CID136687483
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc(COc2ccccc2)cc(=O)[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C20H25N3O3S/c1-14(19(25)21-15-8-4-2-5-9-15)27-20-22-16(12-18(24)23-20)13-26-17-10-6-3-7-11-17/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyNPQOZVDMXUWLMK-UHFFFAOYSA-N
XLogP3.28
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclohexyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136807791
methyl 2-[2-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135689701
N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135488271
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
N-(2-ethyl-6-methylphenyl)-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide
CID 136687420
ethyl 2-[2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoylamino]benzoate
CID 136687469
(2S)-N-cyclopropyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135720241
N-cyclopentyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686082
N-(2,6-dimethylphenyl)-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136687368
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 2627561
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide
CID 137098613
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 136684531

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide (CID 136687483) is N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide is CC(Sc1nc(COc2ccccc2)cc(=O)[nH]1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide?
The InChIKey is NPQOZVDMXUWLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14(19(25)21-15-8-4-2-5-9-15)27-20-22-16(12-18(24)23-20)13-26-17-10-6-3-7-11-17/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide?
N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide has a molecular weight of 387.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 136687483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).