3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

C22H25N3OS — CID 118760704

IUPAC3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCCn1cc(-c2cccc(C(=O)N(C)CCSc3ccc(C)cc3)c2)cn1
InChIInChI=1S/C22H25N3OS/c1-4-25-16-20(15-23-25)18-6-5-7-19(14-18)22(26)24(3)12-13-27-21-10-8-17(2)9-11-21/h5-11,14-16H,4,12-13H2,1-3H3
InChIKeyNBXKZDWVTHYOFO-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.74
Rot. Bonds7

About 3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (PubChem CID 118760704) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
PubChem CID118760704
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCCn1cc(-c2cccc(C(=O)N(C)CCSc3ccc(C)cc3)c2)cn1
InChIInChI=1S/C22H25N3OS/c1-4-25-16-20(15-23-25)18-6-5-7-19(14-18)22(26)24(3)12-13-27-21-10-8-17(2)9-11-21/h5-11,14-16H,4,12-13H2,1-3H3
InChIKeyNBXKZDWVTHYOFO-UHFFFAOYSA-N
XLogP4.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486259
N-ethyl-N-methyl-3-(4-methylphenyl)benzamide
CID 145356700
6-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)naphthalene-2-carboxamide
CID 175646193
N-[2-(dimethylamino)ethyl]-3-(1-ethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125167209
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
N-[2-(azepan-1-yl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide
CID 122561281
N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 74233483
3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312
[3-(1-ethylpyrazol-4-yl)phenyl]boronic acid
CID 130141673
N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide
CID 74247897
2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol
CID 166638798
N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide
CID 169277904

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (CID 118760704) is 3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is CCn1cc(-c2cccc(C(=O)N(C)CCSc3ccc(C)cc3)c2)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The InChIKey is NBXKZDWVTHYOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-4-25-16-20(15-23-25)18-6-5-7-19(14-18)22(26)24(3)12-13-27-21-10-8-17(2)9-11-21/h5-11,14-16H,4,12-13H2,1-3H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide has a molecular weight of 379.53 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 118760704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).