N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide

C24H28ClN5O5S2 — CID 91081299

About N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide

N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 91081299) has the molecular formula C24H28ClN5O5S2 and a molecular weight of 566.11 g/mol. Its IUPAC name is N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
• PubChem CID: 91081299
• Molecular Formula: C24H28ClN5O5S2
• Molecular Weight: 566.11 g/mol
• Exact Mass: 565.12
• IUPAC Name: N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
• SMILES: O=C(NC[C@H]1CCCN1C(=O)CN1CCC[C@H](NS(=O)(=O)C=Cc2ccc(Cl)s2)C1=O)c1ccncc1
• InChI: InChI=1S/C24H28ClN5O5S2/c25-21-6-5-19(36-21)9-14-37(34,35)28-20-4-2-12-29(24(20)33)16-22(31)30-13-1-3-18(30)15-27-23(32)17-7-10-26-11-8-17/h5-11,14,18,20,28H,1-4,12-13,15-16H2,(H,27,32)/t18-,20+/m1/s1
• InChIKey: PZIIQDGPIRROCK-QUCCMNQESA-N
• XLogP: 2.10
• TPSA: 128.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.11
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?

The IUPAC name of N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide (CID 91081299) is N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?

The canonical SMILES for N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1CCCN1C(=O)CN1CCC[C@H](NS(=O)(=O)C=Cc2ccc(Cl)s2)C1=O)c1ccncc1.

What is the InChIKey of N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?

The InChIKey is PZIIQDGPIRROCK-QUCCMNQESA-N. The full InChI is InChI=1S/C24H28ClN5O5S2/c25-21-6-5-19(36-21)9-14-37(34,35)28-20-4-2-12-29(24(20)33)16-22(31)30-13-1-3-18(30)15-27-23(32)17-7-10-26-11-8-17/h5-11,14,18,20,28H,1-4,12-13,15-16H2,(H,27,32)/t18-,20+/m1/s1.

What are the key properties of N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?

N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 566.11 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 91081299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).