N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide

C24H35N3O4S — CID 143243356

About N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide

N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide (PubChem CID 143243356) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide.

Molecular Properties

• Compound Name: N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide
• PubChem CID: 143243356
• Molecular Formula: C24H35N3O4S
• Molecular Weight: 461.63 g/mol
• Exact Mass: 461.23
• IUPAC Name: N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide
• SMILES: CC[C@@H]1OCC(=O)[C@H]1NC(=O)C(CC1(C)CCC1)NC(=O)c1ccc(NSC(C)C)cc1
• InChI: InChI=1S/C24H35N3O4S/c1-5-20-21(19(28)14-31-20)26-23(30)18(13-24(4)11-6-12-24)25-22(29)16-7-9-17(10-8-16)27-32-15(2)3/h7-10,15,18,20-21,27H,5-6,11-14H2,1-4H3,(H,25,29)(H,26,30)/t18?,20-,21+/m0/s1
• InChIKey: DFYXLOHFAUEJAD-QYAPWVIVSA-N
• XLogP: 3.70
• TPSA: 96.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.63
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide (CID 143243356) is N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide.

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

The canonical SMILES for N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide is CC[C@@H]1OCC(=O)[C@H]1NC(=O)C(CC1(C)CCC1)NC(=O)c1ccc(NSC(C)C)cc1.

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

The InChIKey is DFYXLOHFAUEJAD-QYAPWVIVSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-5-20-21(19(28)14-31-20)26-23(30)18(13-24(4)11-6-12-24)25-22(29)16-7-9-17(10-8-16)27-32-15(2)3/h7-10,15,18,20-21,27H,5-6,11-14H2,1-4H3,(H,25,29)(H,26,30)/t18?,20-,21+/m0/s1.

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

N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide has a molecular weight of 461.63 g/mol, XLogP of 3.70, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide is sourced from PubChem (CID 143243356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).