N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C18H21N3O3S — CID 2890791

IUPACN-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSC1=NC(=O)C(c2ccccc2)C(=O)N1)NC1CCCCC1
InChIInChI=1S/C18H21N3O3S/c22-14(19-13-9-5-2-6-10-13)11-25-18-20-16(23)15(17(24)21-18)12-7-3-1-4-8-12/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H,19,22)(H,20,21,23,24)
InChIKeyOJRCWSPWWUSJCM-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.96
Rot. Bonds4

About N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 2890791) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID2890791
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSC1=NC(=O)C(c2ccccc2)C(=O)N1)NC1CCCCC1
InChIInChI=1S/C18H21N3O3S/c22-14(19-13-9-5-2-6-10-13)11-25-18-20-16(23)15(17(24)21-18)12-7-3-1-4-8-12/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H,19,22)(H,20,21,23,24)
InChIKeyOJRCWSPWWUSJCM-UHFFFAOYSA-N
XLogP1.96
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[[5-(1,1-dioxothiolan-3-yl)-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 42956299
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CID 61300302
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide
CID 7633482
N-cyclooctyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5019410
N-cycloheptyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3906065
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
CID 23605473
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902
ethyl 2-[4-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1H-1,5-benzodiazepin-2-yl]acetate
CID 53061096
N-cyclohexyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
CID 1285701

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 2890791) is N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSC1=NC(=O)C(c2ccccc2)C(=O)N1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is OJRCWSPWWUSJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-14(19-13-9-5-2-6-10-13)11-25-18-20-16(23)15(17(24)21-18)12-7-3-1-4-8-12/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H,19,22)(H,20,21,23,24).
What are the key properties of N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2890791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).