N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide

C24H39N3O2S — CID 45238241

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C24H39N3O2S/c1-4-26-13-5-6-22(26)19-27(24(28)21-7-9-23(30-3)10-8-21)18-20-11-14-25(15-12-20)16-17-29-2/h7-10,20,22H,4-6,11-19H2,1-3H3
InChIKeySSOHCYMHPQRYCT-UHFFFAOYSA-N
MW433.66 g/mol
LogP3.69
Rot. Bonds10

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide (PubChem CID 45238241) has the molecular formula C24H39N3O2S and a molecular weight of 433.66 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide
PubChem CID45238241
Molecular FormulaC24H39N3O2S
Molecular Weight433.66 g/mol
Exact Mass433.28
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C24H39N3O2S/c1-4-26-13-5-6-22(26)19-27(24(28)21-7-9-23(30-3)10-8-21)18-20-11-14-25(15-12-20)16-17-29-2/h7-10,20,22H,4-6,11-19H2,1-3H3
InChIKeySSOHCYMHPQRYCT-UHFFFAOYSA-N
XLogP3.69
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.66
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide (CID 45238241) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc(SC)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide?
The InChIKey is SSOHCYMHPQRYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2S/c1-4-26-13-5-6-22(26)19-27(24(28)21-7-9-23(30-3)10-8-21)18-20-11-14-25(15-12-20)16-17-29-2/h7-10,20,22H,4-6,11-19H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide has a molecular weight of 433.66 g/mol, XLogP of 3.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 45238241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).