2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide

C14H19ClN6O3S2 — CID 56527430

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 56527430) has the molecular formula C14H19ClN6O3S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
• PubChem CID: 56527430
• Molecular Formula: C14H19ClN6O3S2
• Molecular Weight: 418.93 g/mol
• Exact Mass: 418.06
• IUPAC Name: 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
• SMILES: CN(CC(=O)Nc1nc(N2CCCCC2)n[nH]1)S(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C14H19ClN6O3S2/c1-20(26(23,24)12-6-5-10(15)25-12)9-11(22)16-13-17-14(19-18-13)21-7-3-2-4-8-21/h5-6H,2-4,7-9H2,1H3,(H2,16,17,18,19,22)
• InChIKey: UTWPCKQSGJVELK-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.93
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?

The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 56527430) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide.

What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?

The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide is CN(CC(=O)Nc1nc(N2CCCCC2)n[nH]1)S(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?

The InChIKey is UTWPCKQSGJVELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O3S2/c1-20(26(23,24)12-6-5-10(15)25-12)9-11(22)16-13-17-14(19-18-13)21-7-3-2-4-8-21/h5-6H,2-4,7-9H2,1H3,(H2,16,17,18,19,22).

What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 418.93 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 56527430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).