5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide

C26H33ClN4O6S2 — CID 72792608

About 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide

5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 72792608) has the molecular formula C26H33ClN4O6S2 and a molecular weight of 597.16 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
• PubChem CID: 72792608
• Molecular Formula: C26H33ClN4O6S2
• Molecular Weight: 597.16 g/mol
• Exact Mass: 596.15
• IUPAC Name: 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
• SMILES: CCc1c(N2CCCCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C
• InChI: InChI=1S/C26H33ClN4O6S2/c1-3-18-20(31-12-5-4-9-24(31)32)7-6-8-22(18)39(35,36)29-19(26(34)30-13-14-37-16-17(30)2)15-28-25(33)21-10-11-23(27)38-21/h6-8,10-11,17,19,29H,3-5,9,12-16H2,1-2H3,(H,28,33)/t17-,19-/m0/s1
• InChIKey: MIMFPYZFIMECLR-HKUYNNGSSA-N
• XLogP: 2.81
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.16
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide (CID 72792608) is 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide is CCc1c(N2CCCCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C.

What is the InChIKey of 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?

The InChIKey is MIMFPYZFIMECLR-HKUYNNGSSA-N. The full InChI is InChI=1S/C26H33ClN4O6S2/c1-3-18-20(31-12-5-4-9-24(31)32)7-6-8-22(18)39(35,36)29-19(26(34)30-13-14-37-16-17(30)2)15-28-25(33)21-10-11-23(27)38-21/h6-8,10-11,17,19,29H,3-5,9,12-16H2,1-2H3,(H,28,33)/t17-,19-/m0/s1.

What are the key properties of 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?

5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 597.16 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 72792608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).