N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide

C19H22N4O2S — CID 50974908

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide
SMILESCOCc1cc(CNC(=O)c2ccccc2NCc2sccc2C)[nH]n1
InChIInChI=1S/C19H22N4O2S/c1-13-7-8-26-18(13)11-20-17-6-4-3-5-16(17)19(24)21-10-14-9-15(12-25-2)23-22-14/h3-9,20H,10-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLBSPEQBJEZNOTJ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.47
Rot. Bonds8

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide (PubChem CID 50974908) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide
PubChem CID50974908
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide
SMILESCOCc1cc(CNC(=O)c2ccccc2NCc2sccc2C)[nH]n1
InChIInChI=1S/C19H22N4O2S/c1-13-7-8-26-18(13)11-20-17-6-4-3-5-16(17)19(24)21-10-14-9-15(12-25-2)23-22-14/h3-9,20H,10-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLBSPEQBJEZNOTJ-UHFFFAOYSA-N
XLogP3.47
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide (CID 50974908) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide is COCc1cc(CNC(=O)c2ccccc2NCc2sccc2C)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide?
The InChIKey is LBSPEQBJEZNOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-7-8-26-18(13)11-20-17-6-4-3-5-16(17)19(24)21-10-14-9-15(12-25-2)23-22-14/h3-9,20H,10-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide has a molecular weight of 370.48 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3-methylthiophen-2-yl)methylamino]benzamide is sourced from PubChem (CID 50974908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).