N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide

C22H19N3O2S — CID 6554448

IUPACN-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESO=C1C[C@@H](c2ccccc2)N=C(SCC(=O)Nc2ccc3ccccc3c2)N1
InChIInChI=1S/C22H19N3O2S/c26-20-13-19(16-7-2-1-3-8-16)24-22(25-20)28-14-21(27)23-18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19H,13-14H2,(H,23,27)(H,24,25,26)/t19-/m0/s1
InChIKeyVKESRYJILRSQOK-IBGZPJMESA-N
MW389.48 g/mol
LogP4.13
Rot. Bonds4

About N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide

N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 6554448) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID6554448
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESO=C1C[C@@H](c2ccccc2)N=C(SCC(=O)Nc2ccc3ccccc3c2)N1
InChIInChI=1S/C22H19N3O2S/c26-20-13-19(16-7-2-1-3-8-16)24-22(25-20)28-14-21(27)23-18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19H,13-14H2,(H,23,27)(H,24,25,26)/t19-/m0/s1
InChIKeyVKESRYJILRSQOK-IBGZPJMESA-N
XLogP4.13
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 6554448) is N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide is O=C1C[C@@H](c2ccccc2)N=C(SCC(=O)Nc2ccc3ccccc3c2)N1.
What is the InChIKey of N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is VKESRYJILRSQOK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-20-13-19(16-7-2-1-3-8-16)24-22(25-20)28-14-21(27)23-18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19H,13-14H2,(H,23,27)(H,24,25,26)/t19-/m0/s1.
What are the key properties of N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 6554448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).