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

C18H21N3O2S — CID 135412966

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C18H21N3O2S/c1-2-4-14-10-16(22)21-18(20-14)24-11-17(23)19-15-8-7-12-5-3-6-13(12)9-15/h7-10H,2-6,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyZRNVPQYBXFUURF-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.94
Rot. Bonds6

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

N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135412966) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135412966
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C18H21N3O2S/c1-2-4-14-10-16(22)21-18(20-14)24-11-17(23)19-15-8-7-12-5-3-6-13(12)9-15/h7-10H,2-6,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyZRNVPQYBXFUURF-UHFFFAOYSA-N
XLogP2.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135412966) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)CCC3)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is ZRNVPQYBXFUURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-2-4-14-10-16(22)21-18(20-14)24-11-17(23)19-15-8-7-12-5-3-6-13(12)9-15/h7-10H,2-6,11H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135412966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).