N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide

C35H41N7O5S — CID 67160357

About N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide

N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 67160357) has the molecular formula C35H41N7O5S and a molecular weight of 671.82 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide
• PubChem CID: 67160357
• Molecular Formula: C35H41N7O5S
• Molecular Weight: 671.82 g/mol
• Exact Mass: 671.29
• IUPAC Name: N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide
• SMILES: CCOc1ncccc1C1(NC(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21
• InChI: InChI=1S/C35H41N7O5S/c1-4-47-32-29(11-8-16-37-32)35(38-34(44)41-21-19-40(20-22-41)27-14-17-39(18-15-27)25(2)3)30-23-26(24-36)12-13-31(30)42(33(35)43)48(45,46)28-9-6-5-7-10-28/h5-13,16,23,25,27H,4,14-15,17-22H2,1-3H3,(H,38,44)
• InChIKey: IHPBCNBFMWXSAL-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 139.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	671.82
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide?

The IUPAC name of N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide (CID 67160357) is N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide.

What is the SMILES notation for N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide?

The canonical SMILES for N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide is CCOc1ncccc1C1(NC(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21.

What is the InChIKey of N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide?

The InChIKey is IHPBCNBFMWXSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O5S/c1-4-47-32-29(11-8-16-37-32)35(38-34(44)41-21-19-40(20-22-41)27-14-17-39(18-15-27)25(2)3)30-23-26(24-36)12-13-31(30)42(33(35)43)48(45,46)28-9-6-5-7-10-28/h5-13,16,23,25,27H,4,14-15,17-22H2,1-3H3,(H,38,44).

What are the key properties of N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide?

N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 671.82 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 67160357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).