N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide

C29H27N5OS — CID 55392612

IUPACN-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C29H27N5OS/c1-20-26(21(2)33(3)32-20)30-25(35)19-36-29-31-27(22-13-7-4-8-14-22)28(23-15-9-5-10-16-23)34(29)24-17-11-6-12-18-24/h4-18H,19H2,1-3H3,(H,30,35)
InChIKeyCANYPSSMWUMIQY-UHFFFAOYSA-N
MW493.64 g/mol
LogP6.29
Rot. Bonds7

About N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide

N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide (PubChem CID 55392612) has the molecular formula C29H27N5OS and a molecular weight of 493.64 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
PubChem CID55392612
Molecular FormulaC29H27N5OS
Molecular Weight493.64 g/mol
Exact Mass493.19
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C29H27N5OS/c1-20-26(21(2)33(3)32-20)30-25(35)19-36-29-31-27(22-13-7-4-8-14-22)28(23-15-9-5-10-16-23)34(29)24-17-11-6-12-18-24/h4-18H,19H2,1-3H3,(H,30,35)
InChIKeyCANYPSSMWUMIQY-UHFFFAOYSA-N
XLogP6.29
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.64
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
CID 3801507
2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid
CID 3472388
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7696701
2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 5200480
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34398137
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 9153234
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 30051226
diethyl 2-(1,4,5-triphenylimidazol-2-yl)sulfanylpropanedioate
CID 134066845
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299

Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide (CID 55392612) is N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide is Cc1nn(C)c(C)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is CANYPSSMWUMIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5OS/c1-20-26(21(2)33(3)32-20)30-25(35)19-36-29-31-27(22-13-7-4-8-14-22)28(23-15-9-5-10-16-23)34(29)24-17-11-6-12-18-24/h4-18H,19H2,1-3H3,(H,30,35).
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide?
N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 493.64 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 55392612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).