N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C22H33N3O7S — CID 73052097

About N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 73052097) has the molecular formula C22H33N3O7S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 73052097
• Molecular Formula: C22H33N3O7S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.20
• IUPAC Name: N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
• SMILES: COC[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1
• InChI: InChI=1S/C22H33N3O7S/c1-13(2)9-14(18(26)22(3)12-32-22)23-19(27)15(10-30-4)24-20(28)16(11-31-5)25-21(29)17-7-6-8-33-17/h6-8,13-16H,9-12H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)/t14-,15-,16-,22-/m0/s1
• InChIKey: WSGRCYYWGAGMTM-WMUXEFRJSA-N
• XLogP: 0.51
• TPSA: 135.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 73052097) is N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is COC[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1.

What is the InChIKey of N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The InChIKey is WSGRCYYWGAGMTM-WMUXEFRJSA-N. The full InChI is InChI=1S/C22H33N3O7S/c1-13(2)9-14(18(26)22(3)12-32-22)23-19(27)15(10-30-4)24-20(28)16(11-31-5)25-21(29)17-7-6-8-33-17/h6-8,13-16H,9-12H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)/t14-,15-,16-,22-/m0/s1.

What are the key properties of N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 0.51, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 73052097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).