N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide

C23H32N2O2S — CID 42870031

IUPACN-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCOCCN(CC1CN(Cc2ccc(C)s2)CC1c1ccc(C)cc1)C(C)=O
InChIInChI=1S/C23H32N2O2S/c1-17-5-8-20(9-6-17)23-16-24(15-22-10-7-18(2)28-22)13-21(23)14-25(19(3)26)11-12-27-4/h5-10,21,23H,11-16H2,1-4H3
InChIKeyABJYUMAMUZKJCJ-UHFFFAOYSA-N
MW400.59 g/mol
LogP4.08
Rot. Bonds8

About N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide

N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 42870031) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID42870031
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC NameN-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCOCCN(CC1CN(Cc2ccc(C)s2)CC1c1ccc(C)cc1)C(C)=O
InChIInChI=1S/C23H32N2O2S/c1-17-5-8-20(9-6-17)23-16-24(15-22-10-7-18(2)28-22)13-21(23)14-25(19(3)26)11-12-27-4/h5-10,21,23H,11-16H2,1-4H3
InChIKeyABJYUMAMUZKJCJ-UHFFFAOYSA-N
XLogP4.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (CID 42870031) is N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is COCCN(CC1CN(Cc2ccc(C)s2)CC1c1ccc(C)cc1)C(C)=O.
What is the InChIKey of N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is ABJYUMAMUZKJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-17-5-8-20(9-6-17)23-16-24(15-22-10-7-18(2)28-22)13-21(23)14-25(19(3)26)11-12-27-4/h5-10,21,23H,11-16H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 400.59 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 42870031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).