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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Related Compounds

2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
CID 40571674
4-[[2-[(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 4081638
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 2580694
N-naphthalen-2-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4666942
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
(E)-4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786135
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide
CID 16581126
N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide
CID 4994531
2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 3451319
N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide
CID 17096136

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).