N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C24H30ClN5O6S2 — CID 59056843

About N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 59056843) has the molecular formula C24H30ClN5O6S2 and a molecular weight of 584.12 g/mol. Its IUPAC name is N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
• PubChem CID: 59056843
• Molecular Formula: C24H30ClN5O6S2
• Molecular Weight: 584.12 g/mol
• Exact Mass: 583.13
• IUPAC Name: N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1noc(C)c1C(=O)NC[C@H]1CCCN1C(=O)CN1CCC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O
• InChI: InChI=1S/C24H30ClN5O6S2/c1-15-22(16(2)36-27-15)23(32)26-13-17-5-3-11-30(17)21(31)14-29-10-4-6-19(24(29)33)28-38(34,35)12-9-18-7-8-20(25)37-18/h7-9,12,17,19,28H,3-6,10-11,13-14H2,1-2H3,(H,26,32)/b12-9+/t17-,19+/m1/s1
• InChIKey: ZISZFBWDLZTWRX-VHYZBGKTSA-N
• XLogP: 2.31
• TPSA: 141.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.12
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 59056843) is N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC[C@H]1CCCN1C(=O)CN1CCC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O.

What is the InChIKey of N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?

The InChIKey is ZISZFBWDLZTWRX-VHYZBGKTSA-N. The full InChI is InChI=1S/C24H30ClN5O6S2/c1-15-22(16(2)36-27-15)23(32)26-13-17-5-3-11-30(17)21(31)14-29-10-4-6-19(24(29)33)28-38(34,35)12-9-18-7-8-20(25)37-18/h7-9,12,17,19,28H,3-6,10-11,13-14H2,1-2H3,(H,26,32)/b12-9+/t17-,19+/m1/s1.

What are the key properties of N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?

N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 584.12 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 59056843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).