5-chloro-N-[(2S)-2-[(2-ethyl-3-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide

C26H29ClN4O5S2 — CID 67155403

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

5-chloro-N-[(2S)-2-[(2-ethyl-3-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 67155403) has the molecular formula C26H29ClN4O5S2 and a molecular weight of 577.13 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-[(2-ethyl-3-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2S)-2-[(2-ethyl-3-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
• PubChem CID: 67155403
• Molecular Formula: C26H29ClN4O5S2
• Molecular Weight: 577.13 g/mol
• Exact Mass: 576.13
• IUPAC Name: 5-chloro-N-[(2S)-2-[(2-ethyl-3-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
• SMILES: CCc1c(-c2ccccn2)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C
• InChI: InChI=1S/C26H29ClN4O5S2/c1-3-18-19(20-8-4-5-12-28-20)7-6-9-23(18)38(34,35)30-21(26(33)31-13-14-36-16-17(31)2)15-29-25(32)22-10-11-24(27)37-22/h4-12,17,21,30H,3,13-16H2,1-2H3,(H,29,32)/t17-,21-/m0/s1
• InChIKey: OQYJSEGEYSKAGD-UWJYYQICSA-N
• XLogP: 3.35
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.13
LogP ≤ 5	3.35
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-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2S)-2-[(2-ethyl-3-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide (CID 67155403) is 5-chloro-N-[(2S)-2-[(2-ethyl-3-pyridin-2-ylphenyl)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-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2S)-2-[(2-ethyl-3-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide is CCc1c(-c2ccccn2)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-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?

The InChIKey is OQYJSEGEYSKAGD-UWJYYQICSA-N. The full InChI is InChI=1S/C26H29ClN4O5S2/c1-3-18-19(20-8-4-5-12-28-20)7-6-9-23(18)38(34,35)30-21(26(33)31-13-14-36-16-17(31)2)15-29-25(32)22-10-11-24(27)37-22/h4-12,17,21,30H,3,13-16H2,1-2H3,(H,29,32)/t17-,21-/m0/s1.

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

5-chloro-N-[(2S)-2-[(2-ethyl-3-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 577.13 g/mol, XLogP of 3.35, 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-pyridin-2-ylphenyl)sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 67155403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).