N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C21H21N3OS — CID 4785047

IUPACN-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)nc(C)c1C
InChIInChI=1S/C21H21N3OS/c1-14-15(2)22-21(23-16(14)3)26-13-20(25)24-19-12-8-7-11-18(19)17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,24,25)
InChIKeyUIRBYEXISPQOBA-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.80
Rot. Bonds5

About N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 4785047) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID4785047
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC NameN-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)nc(C)c1C
InChIInChI=1S/C21H21N3OS/c1-14-15(2)22-21(23-16(14)3)26-13-20(25)24-19-12-8-7-11-18(19)17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,24,25)
InChIKeyUIRBYEXISPQOBA-UHFFFAOYSA-N
XLogP4.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,10-dioxoanthracen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 43016274
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8004014
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 949151
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
CID 6404261
N-(9,10-dioxoanthracen-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4137000
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 859356
2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 135795999
N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 16531355
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
N-[5-[2-oxo-2-(2-phenylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 43814598

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 4785047) is N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)nc(C)c1C.
What is the InChIKey of N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is UIRBYEXISPQOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-14-15(2)22-21(23-16(14)3)26-13-20(25)24-19-12-8-7-11-18(19)17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,24,25).
What are the key properties of N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 363.49 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4785047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).