N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide

C21H27N3O2S — CID 7748850

IUPACN,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c(SCCc2ccccc2)nc2c(c1=O)CCC2
InChIInChI=1S/C21H27N3O2S/c1-3-23(4-2)19(25)15-24-20(26)17-11-8-12-18(17)22-21(24)27-14-13-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3
InChIKeyVYQKDZIGYLTWAV-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.94
Rot. Bonds8

About N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide

N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide (PubChem CID 7748850) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
PubChem CID7748850
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c(SCCc2ccccc2)nc2c(c1=O)CCC2
InChIInChI=1S/C21H27N3O2S/c1-3-23(4-2)19(25)15-24-20(26)17-11-8-12-18(17)22-21(24)27-14-13-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3
InChIKeyVYQKDZIGYLTWAV-UHFFFAOYSA-N
XLogP2.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748824
3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748849
2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748698
2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7748407
2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 7748671
N,N-diethyl-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 1155414
2-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
CID 7748764
2-benzylsulfanyl-3-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748660
2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 7748377
3-(2-phenylethyl)-2-propylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 3730967
methyl 2-[[2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 7748375
N-benzyl-N-ethyl-2-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
CID 37059286

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide (CID 7748850) is N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide is CCN(CC)C(=O)Cn1c(SCCc2ccccc2)nc2c(c1=O)CCC2.
What is the InChIKey of N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide?
The InChIKey is VYQKDZIGYLTWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-23(4-2)19(25)15-24-20(26)17-11-8-12-18(17)22-21(24)27-14-13-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide?
N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide has a molecular weight of 385.53 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-oxo-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 7748850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).