2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

C18H21N5OS — CID 55868588

IUPAC2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCCn1ccnc1SCC(=O)Nc1ccnn1Cc1cccc(C)c1
InChIInChI=1S/C18H21N5OS/c1-3-22-10-9-19-18(22)25-13-17(24)21-16-7-8-20-23(16)12-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyDKQGUANOAYNUAE-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.19
Rot. Bonds7

About 2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 55868588) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID55868588
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCCn1ccnc1SCC(=O)Nc1ccnn1Cc1cccc(C)c1
InChIInChI=1S/C18H21N5OS/c1-3-22-10-9-19-18(22)25-13-17(24)21-16-7-8-20-23(16)12-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyDKQGUANOAYNUAE-UHFFFAOYSA-N
XLogP3.19
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide
CID 55687689
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60514034
2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 139016394
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78862542
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55843500
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
2-[1-[(3-methylphenyl)methyl]imidazol-2-yl]sulfanylethanol
CID 94689526
2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55869897
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methylphenyl)sulfanylacetamide
CID 52772463
2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507720
1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906680
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 55776337

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (CID 55868588) is 2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is CCn1ccnc1SCC(=O)Nc1ccnn1Cc1cccc(C)c1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is DKQGUANOAYNUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-3-22-10-9-19-18(22)25-13-17(24)21-16-7-8-20-23(16)12-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 355.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 55868588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).