N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide

C21H35N3O2S — CID 45246288

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1ccsc1
InChIInChI=1S/C21H35N3O2S/c1-3-23-9-4-5-20(23)16-24(21(25)19-8-14-27-17-19)15-18-6-10-22(11-7-18)12-13-26-2/h8,14,17-18,20H,3-7,9-13,15-16H2,1-2H3
InChIKeyAEJARCLUBZFASQ-UHFFFAOYSA-N
MW393.60 g/mol
LogP3.03
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide (PubChem CID 45246288) has the molecular formula C21H35N3O2S and a molecular weight of 393.60 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide
PubChem CID45246288
Molecular FormulaC21H35N3O2S
Molecular Weight393.60 g/mol
Exact Mass393.24
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1ccsc1
InChIInChI=1S/C21H35N3O2S/c1-3-23-9-4-5-20(23)16-24(21(25)19-8-14-27-17-19)15-18-6-10-22(11-7-18)12-13-26-2/h8,14,17-18,20H,3-7,9-13,15-16H2,1-2H3
InChIKeyAEJARCLUBZFASQ-UHFFFAOYSA-N
XLogP3.03
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 53.03
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]thiophene-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide (CID 45246288) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1ccsc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide?
The InChIKey is AEJARCLUBZFASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2S/c1-3-23-9-4-5-20(23)16-24(21(25)19-8-14-27-17-19)15-18-6-10-22(11-7-18)12-13-26-2/h8,14,17-18,20H,3-7,9-13,15-16H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiophene-3-carboxamide has a molecular weight of 393.60 g/mol, XLogP of 3.03, 9 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]thiophene-3-carboxamide is sourced from PubChem (CID 45246288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).