N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide

C17H20N2O3S — CID 97389930

IUPACN-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
SMILESCOCCn1c2c(ccc1=O)C[C@@H](NC(=O)c1ccsc1)CC2
InChIInChI=1S/C17H20N2O3S/c1-22-8-7-19-15-4-3-14(10-12(15)2-5-16(19)20)18-17(21)13-6-9-23-11-13/h2,5-6,9,11,14H,3-4,7-8,10H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyWCVGNMSRZZPCSE-AWEZNQCLSA-N
MW332.43 g/mol
LogP1.84
Rot. Bonds5

About N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide

N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide (PubChem CID 97389930) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
PubChem CID97389930
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
SMILESCOCCn1c2c(ccc1=O)C[C@@H](NC(=O)c1ccsc1)CC2
InChIInChI=1S/C17H20N2O3S/c1-22-8-7-19-15-4-3-14(10-12(15)2-5-16(19)20)18-17(21)13-6-9-23-11-13/h2,5-6,9,11,14H,3-4,7-8,10H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyWCVGNMSRZZPCSE-AWEZNQCLSA-N
XLogP1.84
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide (CID 97389930) is N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide is COCCn1c2c(ccc1=O)C[C@@H](NC(=O)c1ccsc1)CC2.
What is the InChIKey of N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
The InChIKey is WCVGNMSRZZPCSE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-22-8-7-19-15-4-3-14(10-12(15)2-5-16(19)20)18-17(21)13-6-9-23-11-13/h2,5-6,9,11,14H,3-4,7-8,10H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide is sourced from PubChem (CID 97389930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).