(4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C20H18FN3O2S2 — CID 94158533

About (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

(4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 94158533) has the molecular formula C20H18FN3O2S2 and a molecular weight of 415.52 g/mol. Its IUPAC name is (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• PubChem CID: 94158533
• Molecular Formula: C20H18FN3O2S2
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.08
• IUPAC Name: (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• SMILES: C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1
• InChI: InChI=1S/C20H18FN3O2S2/c1-12-15-6-9-28-18(15)4-7-24(12)20(26)22-14-2-3-16(21)17(10-14)23-19(25)13-5-8-27-11-13/h2-3,5-6,8-12H,4,7H2,1H3,(H,22,26)(H,23,25)/t12-/m0/s1
• InChIKey: RORBYTXOBVSZDT-LBPRGKRZSA-N
• XLogP: 5.35
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

The IUPAC name of (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 94158533) is (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

What is the SMILES notation for (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

The canonical SMILES for (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1.

What is the InChIKey of (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

The InChIKey is RORBYTXOBVSZDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18FN3O2S2/c1-12-15-6-9-28-18(15)4-7-24(12)20(26)22-14-2-3-16(21)17(10-14)23-19(25)13-5-8-27-11-13/h2-3,5-6,8-12H,4,7H2,1H3,(H,22,26)(H,23,25)/t12-/m0/s1.

What are the key properties of (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

(4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 94158533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).