2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide

C19H20N4OS — CID 122273907

IUPAC2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1cncc(-c2ccnn2C)c1
InChIInChI=1S/C19H20N4OS/c1-3-25-18-7-5-4-6-16(18)19(24)21-12-14-10-15(13-20-11-14)17-8-9-22-23(17)2/h4-11,13H,3,12H2,1-2H3,(H,21,24)
InChIKeyXFULSYHSIKHFAV-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.52
Rot. Bonds6

About 2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide

2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 122273907) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
PubChem CID122273907
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1cncc(-c2ccnn2C)c1
InChIInChI=1S/C19H20N4OS/c1-3-25-18-7-5-4-6-16(18)19(24)21-12-14-10-15(13-20-11-14)17-8-9-22-23(17)2/h4-11,13H,3,12H2,1-2H3,(H,21,24)
InChIKeyXFULSYHSIKHFAV-UHFFFAOYSA-N
XLogP3.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197010
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 122273897
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122274062
3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105165
1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274163
3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273925
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 119105177
pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274118

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide (CID 122273907) is 2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide is CCSc1ccccc1C(=O)NCc1cncc(-c2ccnn2C)c1.
What is the InChIKey of 2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is XFULSYHSIKHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-3-25-18-7-5-4-6-16(18)19(24)21-12-14-10-15(13-20-11-14)17-8-9-22-23(17)2/h4-11,13H,3,12H2,1-2H3,(H,21,24).
What are the key properties of 2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide?
2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 352.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 122273907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).