N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide

C18H22ClN5O5S — CID 12006021

IUPACN'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN5O5S/c19-14-2-4-15(5-3-14)30(27,28)24-10-11-29-16(24)12-22-18(26)17(25)21-6-1-8-23-9-7-20-13-23/h2-5,7,9,13,16H,1,6,8,10-12H2,(H,21,25)(H,22,26)
InChIKeyNWGFBOOTDAKJAG-UHFFFAOYSA-N
MW455.92 g/mol
LogP0.21
Rot. Bonds8

About N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide

N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 12006021) has the molecular formula C18H22ClN5O5S and a molecular weight of 455.92 g/mol. Its IUPAC name is N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID12006021
Molecular FormulaC18H22ClN5O5S
Molecular Weight455.92 g/mol
Exact Mass455.10
IUPAC NameN'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN5O5S/c19-14-2-4-15(5-3-14)30(27,28)24-10-11-29-16(24)12-22-18(26)17(25)21-6-1-8-23-9-7-20-13-23/h2-5,7,9,13,16H,1,6,8,10-12H2,(H,21,25)(H,22,26)
InChIKeyNWGFBOOTDAKJAG-UHFFFAOYSA-N
XLogP0.21
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide (CID 12006021) is N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide is O=C(NCCCn1ccnc1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is NWGFBOOTDAKJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O5S/c19-14-2-4-15(5-3-14)30(27,28)24-10-11-29-16(24)12-22-18(26)17(25)21-6-1-8-23-9-7-20-13-23/h2-5,7,9,13,16H,1,6,8,10-12H2,(H,21,25)(H,22,26).
What are the key properties of N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide?
N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 455.92 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 12006021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).