N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide

C20H19N3O2S — CID 70736934

IUPACN-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide
SMILESO=C1CC[C@@H](CN(Cc2ccccn2)C(=O)c2ccc3sccc3c2)N1
InChIInChI=1S/C20H19N3O2S/c24-19-7-5-17(22-19)13-23(12-16-3-1-2-9-21-16)20(25)15-4-6-18-14(11-15)8-10-26-18/h1-4,6,8-11,17H,5,7,12-13H2,(H,22,24)/t17-/m0/s1
InChIKeyPIEJOOPVUKCSAT-KRWDZBQOSA-N
MW365.46 g/mol
LogP3.22
Rot. Bonds5

About N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide

N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide (PubChem CID 70736934) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide
PubChem CID70736934
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide
SMILESO=C1CC[C@@H](CN(Cc2ccccn2)C(=O)c2ccc3sccc3c2)N1
InChIInChI=1S/C20H19N3O2S/c24-19-7-5-17(22-19)13-23(12-16-3-1-2-9-21-16)20(25)15-4-6-18-14(11-15)8-10-26-18/h1-4,6,8-11,17H,5,7,12-13H2,(H,22,24)/t17-/m0/s1
InChIKeyPIEJOOPVUKCSAT-KRWDZBQOSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-2-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 70719764
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503298
6-chloro-2-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 171387881
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
CID 72850195
2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70725136
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 155491458
4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
CID 97152757
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60559259
2,6-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91780551
(5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 135102204
3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea
CID 75424901

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide?
The IUPAC name of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide (CID 70736934) is N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide is O=C1CC[C@@H](CN(Cc2ccccn2)C(=O)c2ccc3sccc3c2)N1.
What is the InChIKey of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide?
The InChIKey is PIEJOOPVUKCSAT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19-7-5-17(22-19)13-23(12-16-3-1-2-9-21-16)20(25)15-4-6-18-14(11-15)8-10-26-18/h1-4,6,8-11,17H,5,7,12-13H2,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide?
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 70736934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).