N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide

C17H22FN3O5S — CID 110634102

IUPACN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
SMILESCC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)NCC1CN(C2CC2)C(=O)O1
InChIInChI=1S/C17H22FN3O5S/c1-11(10-27(24,25)20-13-4-2-3-12(18)7-13)16(22)19-8-15-9-21(14-5-6-14)17(23)26-15/h2-4,7,11,14-15,20H,5-6,8-10H2,1H3,(H,19,22)
InChIKeyIVVAOPYORLTEPC-UHFFFAOYSA-N
MW399.44 g/mol
LogP1.30
Rot. Bonds8

About N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide (PubChem CID 110634102) has the molecular formula C17H22FN3O5S and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
PubChem CID110634102
Molecular FormulaC17H22FN3O5S
Molecular Weight399.44 g/mol
Exact Mass399.13
IUPAC NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
SMILESCC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)NCC1CN(C2CC2)C(=O)O1
InChIInChI=1S/C17H22FN3O5S/c1-11(10-27(24,25)20-13-4-2-3-12(18)7-13)16(22)19-8-15-9-21(14-5-6-14)17(23)26-15/h2-4,7,11,14-15,20H,5-6,8-10H2,1H3,(H,19,22)
InChIKeyIVVAOPYORLTEPC-UHFFFAOYSA-N
XLogP1.30
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631787
3-[(3-fluorophenyl)sulfamoyl]-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 110626814
3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
CID 110610179
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110426408
1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea
CID 110315593
3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide
CID 110612014
N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide
CID 110609311
N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110420926
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide
CID 110354906
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110315671
3-fluoro-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110725933
3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
CID 110417500

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
The IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide (CID 110634102) is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
The canonical SMILES for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide is CC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)NCC1CN(C2CC2)C(=O)O1.
What is the InChIKey of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
The InChIKey is IVVAOPYORLTEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O5S/c1-11(10-27(24,25)20-13-4-2-3-12(18)7-13)16(22)19-8-15-9-21(14-5-6-14)17(23)26-15/h2-4,7,11,14-15,20H,5-6,8-10H2,1H3,(H,19,22).
What are the key properties of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide has a molecular weight of 399.44 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide is sourced from PubChem (CID 110634102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).