2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide

C24H31FN2O4S — CID 46513241

IUPAC2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)c1ccc(C(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C(C)C)cc1
InChIInChI=1S/C24H31FN2O4S/c1-16(2)18-5-7-19(8-6-18)23(17(3)4)26-24(28)21-15-20(9-10-22(21)25)32(29,30)27-11-13-31-14-12-27/h5-10,15-17,23H,11-14H2,1-4H3,(H,26,28)
InChIKeyUTDQJSZJAITVCB-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.10
Rot. Bonds7

About 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide

2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 46513241) has the molecular formula C24H31FN2O4S and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID46513241
Molecular FormulaC24H31FN2O4S
Molecular Weight462.59 g/mol
Exact Mass462.20
IUPAC Name2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)c1ccc(C(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C(C)C)cc1
InChIInChI=1S/C24H31FN2O4S/c1-16(2)18-5-7-19(8-6-18)23(17(3)4)26-24(28)21-15-20(9-10-22(21)25)32(29,30)27-11-13-31-14-12-27/h5-10,15-17,23H,11-14H2,1-4H3,(H,26,28)
InChIKeyUTDQJSZJAITVCB-UHFFFAOYSA-N
XLogP4.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46513564
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2713189
N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 56571984
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127
N-[cyano-(2,4-difluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 56536851
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide (CID 46513241) is 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide is CC(C)c1ccc(C(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C(C)C)cc1.
What is the InChIKey of 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UTDQJSZJAITVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O4S/c1-16(2)18-5-7-19(8-6-18)23(17(3)4)26-24(28)21-15-20(9-10-22(21)25)32(29,30)27-11-13-31-14-12-27/h5-10,15-17,23H,11-14H2,1-4H3,(H,26,28).
What are the key properties of 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide?
2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 462.59 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46513241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).