5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C23H30ClN3O4S — CID 71465023

About 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 71465023) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 71465023
• Molecular Formula: C23H30ClN3O4S
• Molecular Weight: 480.03 g/mol
• Exact Mass: 479.16
• IUPAC Name: 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ncc(Cl)cc1OCc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCO)s1
• InChI: InChI=1S/C23H30ClN3O4S/c1-15-20(12-17(24)13-26-15)31-14-18-7-8-21(32-18)23(30)27-19(22(29)25-9-10-28)11-16-5-3-2-4-6-16/h7-8,12-13,16,19,28H,2-6,9-11,14H2,1H3,(H,25,29)(H,27,30)/t19-/m0/s1
• InChIKey: FEVJNAYOOZMYCC-IBGZPJMESA-N
• XLogP: 3.86
• TPSA: 100.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.03
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 71465023) is 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1ncc(Cl)cc1OCc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCO)s1.

What is the InChIKey of 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The InChIKey is FEVJNAYOOZMYCC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30ClN3O4S/c1-15-20(12-17(24)13-26-15)31-14-18-7-8-21(32-18)23(30)27-19(22(29)25-9-10-28)11-16-5-3-2-4-6-16/h7-8,12-13,16,19,28H,2-6,9-11,14H2,1H3,(H,25,29)(H,27,30)/t19-/m0/s1.

What are the key properties of 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 480.03 g/mol, XLogP of 3.86, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-chloro-2-methyl-3-pyridinyl)oxymethyl]-N-[(2S)-3-cyclohexyl-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71465023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).