N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide

C17H22N2O2S — CID 19008809

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc2ccccc2c1OC
InChIInChI=1S/C17H22N2O2S/c1-3-19-10-6-7-12(19)11-18-17(20)16-15(21-2)13-8-4-5-9-14(13)22-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,20)
InChIKeyPKYHFUDEAMWRCN-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.12
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 19008809) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
PubChem CID19008809
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc2ccccc2c1OC
InChIInChI=1S/C17H22N2O2S/c1-3-19-10-6-7-12(19)11-18-17(20)16-15(21-2)13-8-4-5-9-14(13)22-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,20)
InChIKeyPKYHFUDEAMWRCN-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide
CID 19995025
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 95058286
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide
CID 14691952
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride
CID 22734987
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
CID 19738289
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
N-[2-(dicyclohexylmethylamino)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 19008819
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
4-bromo-N-[(1-butylpyrrolidin-2-yl)methyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride
CID 18983061
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide (CID 19008809) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide is CCN1CCCC1CNC(=O)c1sc2ccccc2c1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is PKYHFUDEAMWRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-19-10-6-7-12(19)11-18-17(20)16-15(21-2)13-8-4-5-9-14(13)22-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19008809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).