N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C18H21N3O3S — CID 649671

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)c1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O
InChIInChI=1S/C18H21N3O3S/c1-10(2)15-16(23)20-18(21-17(15)24)25-9-14(22)19-13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,19,22)(H2,20,21,23,24)
InChIKeyZMMWYAPTLFITFU-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.82
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 649671) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID649671
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)c1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O
InChIInChI=1S/C18H21N3O3S/c1-10(2)15-16(23)20-18(21-17(15)24)25-9-14(22)19-13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,19,22)(H2,20,21,23,24)
InChIKeyZMMWYAPTLFITFU-UHFFFAOYSA-N
XLogP2.82
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 649671) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CC(C)c1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is ZMMWYAPTLFITFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-10(2)15-16(23)20-18(21-17(15)24)25-9-14(22)19-13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,19,22)(H2,20,21,23,24).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 649671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).