N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

C25H30ClN5O4S — CID 58777695

About N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (PubChem CID 58777695) has the molecular formula C25H30ClN5O4S and a molecular weight of 532.07 g/mol. Its IUPAC name is N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
• PubChem CID: 58777695
• Molecular Formula: C25H30ClN5O4S
• Molecular Weight: 532.07 g/mol
• Exact Mass: 531.17
• IUPAC Name: N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
• SMILES: NC1CCN(c2ccc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)cc2NC(=O)C2CCCC2)C1
• InChI: InChI=1S/C25H30ClN5O4S/c26-22-8-7-21(36-22)24(33)28-12-18-14-31(25(34)35-18)17-5-6-20(30-10-9-16(27)13-30)19(11-17)29-23(32)15-3-1-2-4-15/h5-8,11,15-16,18H,1-4,9-10,12-14,27H2,(H,28,33)(H,29,32)
• InChIKey: LVEJNMUDLDTJNB-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 117.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.07
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

The IUPAC name of N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (CID 58777695) is N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide.

What is the SMILES notation for N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

The canonical SMILES for N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is NC1CCN(c2ccc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)cc2NC(=O)C2CCCC2)C1.

What is the InChIKey of N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

The InChIKey is LVEJNMUDLDTJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O4S/c26-22-8-7-21(36-22)24(33)28-12-18-14-31(25(34)35-18)17-5-6-20(30-10-9-16(27)13-30)19(11-17)29-23(32)15-3-1-2-4-15/h5-8,11,15-16,18H,1-4,9-10,12-14,27H2,(H,28,33)(H,29,32).

What are the key properties of N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 532.07 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-(3-aminopyrrolidin-1-yl)-3-(cyclopentanecarbonylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 58777695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).