N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C27H30N4O4S — CID 46021088

About N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 46021088) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 46021088
• Molecular Formula: C27H30N4O4S
• Molecular Weight: 506.63 g/mol
• Exact Mass: 506.20
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1cccc(CN2C(=O)OC(c3ccc(NC(=O)c4cccs4)cc3)C2C(=O)NCCN(C)C)c1
• InChI: InChI=1S/C27H30N4O4S/c1-18-6-4-7-19(16-18)17-31-23(26(33)28-13-14-30(2)3)24(35-27(31)34)20-9-11-21(12-10-20)29-25(32)22-8-5-15-36-22/h4-12,15-16,23-24H,13-14,17H2,1-3H3,(H,28,33)(H,29,32)
• InChIKey: WVQOCUQFAGUHDK-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.63
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 46021088) is N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is Cc1cccc(CN2C(=O)OC(c3ccc(NC(=O)c4cccs4)cc3)C2C(=O)NCCN(C)C)c1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The InChIKey is WVQOCUQFAGUHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c1-18-6-4-7-19(16-18)17-31-23(26(33)28-13-14-30(2)3)24(35-27(31)34)20-9-11-21(12-10-20)29-25(32)22-8-5-15-36-22/h4-12,15-16,23-24H,13-14,17H2,1-3H3,(H,28,33)(H,29,32).

What are the key properties of N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 506.63 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).