2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C19H27N5O3S2 — CID 4841714

About 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4841714) has the molecular formula C19H27N5O3S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 4841714
• Molecular Formula: C19H27N5O3S2
• Molecular Weight: 437.59 g/mol
• Exact Mass: 437.16
• IUPAC Name: 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: CCN(CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
• InChI: InChI=1S/C19H27N5O3S2/c1-3-23(15-19(25)21-13-16-5-4-12-28-16)18-7-6-17(14-20-18)29(26,27)24-10-8-22(2)9-11-24/h4-7,12,14H,3,8-11,13,15H2,1-2H3,(H,21,25)
• InChIKey: XIXZXMKOGWYLEH-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.59
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 4841714) is 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1.

What is the InChIKey of 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is XIXZXMKOGWYLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S2/c1-3-23(15-19(25)21-13-16-5-4-12-28-16)18-7-6-17(14-20-18)29(26,27)24-10-8-22(2)9-11-24/h4-7,12,14H,3,8-11,13,15H2,1-2H3,(H,21,25).

What are the key properties of 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide?

2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 437.59 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4841714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).