2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide

C24H27FN4O4S — CID 55970027

IUPAC2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C24H27FN4O4S/c1-28(11-5-8-19-16-23(27-26-19)18-6-3-2-4-7-18)24(30)21-17-20(9-10-22(21)25)34(31,32)29-12-14-33-15-13-29/h2-4,6-7,9-10,16-17H,5,8,11-15H2,1H3,(H,26,27)
InChIKeyNDXLASISELLHRQ-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.94
Rot. Bonds8

About 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide

2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide (PubChem CID 55970027) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
PubChem CID55970027
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C24H27FN4O4S/c1-28(11-5-8-19-16-23(27-26-19)18-6-3-2-4-7-18)24(30)21-17-20(9-10-22(21)25)34(31,32)29-12-14-33-15-13-29/h2-4,6-7,9-10,16-17H,5,8,11-15H2,1H3,(H,26,27)
InChIKeyNDXLASISELLHRQ-UHFFFAOYSA-N
XLogP2.94
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24645604
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2458310
N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 26893076
N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 51113554
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylcyclohexyl)benzamide
CID 55588260
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389
N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 3352580
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide
CID 60571055

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide (CID 55970027) is 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
The InChIKey is NDXLASISELLHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-28(11-5-8-19-16-23(27-26-19)18-6-3-2-4-7-18)24(30)21-17-20(9-10-22(21)25)34(31,32)29-12-14-33-15-13-29/h2-4,6-7,9-10,16-17H,5,8,11-15H2,1H3,(H,26,27).
What are the key properties of 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide has a molecular weight of 486.57 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide is sourced from PubChem (CID 55970027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).