5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C27H29ClN4O4S — CID 143436903

About 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 143436903) has the molecular formula C27H29ClN4O4S and a molecular weight of 541.07 g/mol. Its IUPAC name is 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 143436903
• Molecular Formula: C27H29ClN4O4S
• Molecular Weight: 541.07 g/mol
• Exact Mass: 540.16
• IUPAC Name: 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(NCC1CN(c2ccc(N3CCCCC3)c(NC(O)c3ccccc3)c2)C(=O)O1)c1ccc(Cl)s1
• InChI: InChI=1S/C27H29ClN4O4S/c28-24-12-11-23(37-24)26(34)29-16-20-17-32(27(35)36-20)19-9-10-22(31-13-5-2-6-14-31)21(15-19)30-25(33)18-7-3-1-4-8-18/h1,3-4,7-12,15,20,25,30,33H,2,5-6,13-14,16-17H2,(H,29,34)
• InChIKey: QRLBYFYMFUSCAP-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 94.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.07
LogP ≤ 5	5.25
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 143436903) is 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CN(c2ccc(N3CCCCC3)c(NC(O)c3ccccc3)c2)C(=O)O1)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is QRLBYFYMFUSCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O4S/c28-24-12-11-23(37-24)26(34)29-16-20-17-32(27(35)36-20)19-9-10-22(31-13-5-2-6-14-31)21(15-19)30-25(33)18-7-3-1-4-8-18/h1,3-4,7-12,15,20,25,30,33H,2,5-6,13-14,16-17H2,(H,29,34).

What are the key properties of 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 541.07 g/mol, XLogP of 5.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[3-[3-[[hydroxy(phenyl)methyl]amino]-4-piperidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 143436903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).