N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide

C21H21N3OS — CID 8729649

IUPACN-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C21H21N3OS/c1-16-13-19(18-11-7-4-8-12-18)23-21(22-16)26-15-20(25)24(2)14-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3
InChIKeyNZXNQJORRITNFC-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.20
Rot. Bonds6

About N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide

N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 8729649) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID8729649
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC NameN-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C21H21N3OS/c1-16-13-19(18-11-7-4-8-12-18)23-21(22-16)26-15-20(25)24(2)14-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3
InChIKeyNZXNQJORRITNFC-UHFFFAOYSA-N
XLogP4.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide
CID 8731400
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 30317011
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 34656415
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730552
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731296
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 3640790
1-(4-bromophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
CID 2238750
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
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2192132
N-benzyl-N-methyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17095482
N,N-dimethyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 71296347

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide (CID 8729649) is N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(-c2ccccc2)nc(SCC(=O)N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is NZXNQJORRITNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-16-13-19(18-11-7-4-8-12-18)23-21(22-16)26-15-20(25)24(2)14-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 363.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8729649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).