N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide

C20H23N3OS — CID 7030170

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)n1
InChIInChI=1S/C20H23N3OS/c1-13-9-17(15-5-3-2-4-6-15)23-20(21-13)25-12-19(24)22-18-11-14-7-8-16(18)10-14/h2-6,9,14,16,18H,7-8,10-12H2,1H3,(H,22,24)/t14-,16-,18-/m1/s1
InChIKeySFWBPEWXVHNEQZ-QGPMSJSTSA-N
MW353.49 g/mol
LogP3.85
Rot. Bonds5

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 7030170) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID7030170
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)n1
InChIInChI=1S/C20H23N3OS/c1-13-9-17(15-5-3-2-4-6-15)23-20(21-13)25-12-19(24)22-18-11-14-7-8-16(18)10-14/h2-6,9,14,16,18H,7-8,10-12H2,1H3,(H,22,24)/t14-,16-,18-/m1/s1
InChIKeySFWBPEWXVHNEQZ-QGPMSJSTSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide with MolForge

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Related Compounds

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 124834358
N-(4-methylcyclohexyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730989
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 7393177
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 11901347
N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 21383137
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 124832656
N-[(1S)-1-cyclopropylethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731587
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
CID 18555874
2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11932267
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2192132
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2192131
N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide (CID 7030170) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)n1.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is SFWBPEWXVHNEQZ-QGPMSJSTSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-13-9-17(15-5-3-2-4-6-15)23-20(21-13)25-12-19(24)22-18-11-14-7-8-16(18)10-14/h2-6,9,14,16,18H,7-8,10-12H2,1H3,(H,22,24)/t14-,16-,18-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 353.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7030170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).