2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide

C17H19N3O2S — CID 9249806

IUPAC2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCCc2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-11(16(22)19-17-13(15(18)21)8-10-23-17)20-9-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-8,10-11H,4,6,9H2,1H3,(H2,18,21)(H,19,22)/t11-/m0/s1
InChIKeyHVGRTTLSMKZKIQ-NSHDSACASA-N
MW329.43 g/mol
LogP2.63
Rot. Bonds4

About 2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide

2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide (PubChem CID 9249806) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide
PubChem CID9249806
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCCc2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-11(16(22)19-17-13(15(18)21)8-10-23-17)20-9-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-8,10-11H,4,6,9H2,1H3,(H2,18,21)(H,19,22)/t11-/m0/s1
InChIKeyHVGRTTLSMKZKIQ-NSHDSACASA-N
XLogP2.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide (CID 9249806) is 2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide is C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCCc2ccccc21.
What is the InChIKey of 2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is HVGRTTLSMKZKIQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(16(22)19-17-13(15(18)21)8-10-23-17)20-9-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-8,10-11H,4,6,9H2,1H3,(H2,18,21)(H,19,22)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide?
2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9249806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).