N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide

C21H24FN5O4S — CID 171395441

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)c(F)c2)c2[nH]ncc2c1
InChIInChI=1S/C21H24FN5O4S/c1-14-9-15-12-23-25-21(15)19(10-14)32(29,30)26(2)13-20(28)24-16-3-4-18(17(22)11-16)27-5-7-31-8-6-27/h3-4,9-12H,5-8,13H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyQDEMDDILMIMZNH-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.11
Rot. Bonds6

About N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide

N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide (PubChem CID 171395441) has the molecular formula C21H24FN5O4S and a molecular weight of 461.52 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
PubChem CID171395441
Molecular FormulaC21H24FN5O4S
Molecular Weight461.52 g/mol
Exact Mass461.15
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)c(F)c2)c2[nH]ncc2c1
InChIInChI=1S/C21H24FN5O4S/c1-14-9-15-12-23-25-21(15)19(10-14)32(29,30)26(2)13-20(28)24-16-3-4-18(17(22)11-16)27-5-7-31-8-6-27/h3-4,9-12H,5-8,13H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyQDEMDDILMIMZNH-UHFFFAOYSA-N
XLogP2.11
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide
CID 155387744
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide
CID 56835059
US20240132480, Example 43
CID 164573492
(2R)-N-(3-chloro-4-morpholino-phenyl)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]azetidine-2-carboxamide
CID 164573822
(2S)-N-(3-chloro-4-morpholino-phenyl)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]azetidine-2-carboxamide
CID 167168310
2-[(5-fluoro-2H-indazol-7-yl)sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395535
2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395558
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395588
US20240132480, Example 101
CID 171902335
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(3-methyl-4-morpholino-phenyl)acetamide
CID 171395416
N-(3-chloro-4-morpholino-phenyl)-2-[(3-fluoro-5-methyl-1H-indazol-7-yl)sulfonyl-methyl-amino]acetamide
CID 171395596
N-(3-chloro-4-morpholin-4-ylphenyl)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]azetidine-2-carboxamide
CID 171442742

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide (CID 171395441) is N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide is Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)c(F)c2)c2[nH]ncc2c1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
The InChIKey is QDEMDDILMIMZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O4S/c1-14-9-15-12-23-25-21(15)19(10-14)32(29,30)26(2)13-20(28)24-16-3-4-18(17(22)11-16)27-5-7-31-8-6-27/h3-4,9-12H,5-8,13H2,1-2H3,(H,23,25)(H,24,28).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide has a molecular weight of 461.52 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 171395441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).