N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide

C20H30N4O2S — CID 51115551

IUPACN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)CSc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C20H30N4O2S/c1-5-24(6-2)11-12-26-18-9-7-17(8-10-18)13-21-19(25)14-27-20-15(3)22-23-16(20)4/h7-10H,5-6,11-14H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyZXRWTRVYDOBGOF-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.16
Rot. Bonds11

About N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide

N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide (PubChem CID 51115551) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide
PubChem CID51115551
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)CSc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C20H30N4O2S/c1-5-24(6-2)11-12-26-18-9-7-17(8-10-18)13-21-19(25)14-27-20-15(3)22-23-16(20)4/h7-10H,5-6,11-14H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyZXRWTRVYDOBGOF-UHFFFAOYSA-N
XLogP3.16
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide (CID 51115551) is N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide is CCN(CC)CCOc1ccc(CNC(=O)CSc2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide?
The InChIKey is ZXRWTRVYDOBGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-5-24(6-2)11-12-26-18-9-7-17(8-10-18)13-21-19(25)14-27-20-15(3)22-23-16(20)4/h7-10H,5-6,11-14H2,1-4H3,(H,21,25)(H,22,23).
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide?
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide has a molecular weight of 390.55 g/mol, XLogP of 3.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 51115551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).