4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide

C28H35N3O6S — CID 44570674

About 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide

4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide (PubChem CID 44570674) has the molecular formula C28H35N3O6S and a molecular weight of 541.67 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide
• PubChem CID: 44570674
• Molecular Formula: C28H35N3O6S
• Molecular Weight: 541.67 g/mol
• Exact Mass: 541.22
• IUPAC Name: 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide
• SMILES: CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
• InChI: InChI=1S/C28H35N3O6S/c1-3-24-25(23(32)18-37-24)30-27(34)22(17-28(2)15-7-8-16-28)29-26(33)19-11-13-20(14-12-19)31-38(35,36)21-9-5-4-6-10-21/h4-6,9-14,22,24-25,31H,3,7-8,15-18H2,1-2H3,(H,29,33)(H,30,34)/t22-,24-,25+/m0/s1
• InChIKey: SKTUOKAQLMXSFD-ZKMPZPQNSA-N
• XLogP: 3.42
• TPSA: 130.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.67
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide?

The IUPAC name of 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide (CID 44570674) is 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide.

What is the SMILES notation for 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide?

The canonical SMILES for 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide is CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.

What is the InChIKey of 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide?

The InChIKey is SKTUOKAQLMXSFD-ZKMPZPQNSA-N. The full InChI is InChI=1S/C28H35N3O6S/c1-3-24-25(23(32)18-37-24)30-27(34)22(17-28(2)15-7-8-16-28)29-26(33)19-11-13-20(14-12-19)31-38(35,36)21-9-5-4-6-10-21/h4-6,9-14,22,24-25,31H,3,7-8,15-18H2,1-2H3,(H,29,33)(H,30,34)/t22-,24-,25+/m0/s1.

What are the key properties of 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide?

4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide has a molecular weight of 541.67 g/mol, XLogP of 3.42, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzenesulfonamido)-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 44570674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).