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

C16H25N3O2S — CID 135488271

IUPACN-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCCCc1cc(=O)[nH]c(SC(C)C(=O)NC2CCCCC2)n1
InChIInChI=1S/C16H25N3O2S/c1-3-7-13-10-14(20)19-16(18-13)22-11(2)15(21)17-12-8-5-4-6-9-12/h10-12H,3-9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyUMMOCMPUAYQFSC-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.65
Rot. Bonds6

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

N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 135488271) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID135488271
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCCCc1cc(=O)[nH]c(SC(C)C(=O)NC2CCCCC2)n1
InChIInChI=1S/C16H25N3O2S/c1-3-7-13-10-14(20)19-16(18-13)22-11(2)15(21)17-12-8-5-4-6-9-12/h10-12H,3-9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyUMMOCMPUAYQFSC-UHFFFAOYSA-N
XLogP2.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135720241
methyl 2-[2-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135689701
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
N-cyclohexyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide
CID 136687483
(2S)-N-carbamoyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135720220
(2R)-N-cyclohexyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136807791
2-[(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135763484
2-[(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135855748
N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 137262476
(2S)-N-(3-methylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135763464
N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136685002
(2S)-N-(3-chlorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135763419

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 135488271) is N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is CCCc1cc(=O)[nH]c(SC(C)C(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is UMMOCMPUAYQFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-3-7-13-10-14(20)19-16(18-13)22-11(2)15(21)17-12-8-5-4-6-9-12/h10-12H,3-9H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 323.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 135488271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).