2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide

C19H19N5O4S — CID 171395462

IUPAC2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)NC2C(=O)Nc3ccccc32)c2[nH]ncc2c1
InChIInChI=1S/C19H19N5O4S/c1-11-7-12-9-20-23-17(12)15(8-11)29(27,28)24(2)10-16(25)22-18-13-5-3-4-6-14(13)21-19(18)26/h3-9,18H,10H2,1-2H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyLMXPJPPFXZAVKW-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.30
Rot. Bonds5

About 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide

2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 171395462) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID171395462
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)NC2C(=O)Nc3ccccc32)c2[nH]ncc2c1
InChIInChI=1S/C19H19N5O4S/c1-11-7-12-9-20-23-17(12)15(8-11)29(27,28)24(2)10-16(25)22-18-13-5-3-4-6-14(13)21-19(18)26/h3-9,18H,10H2,1-2H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyLMXPJPPFXZAVKW-UHFFFAOYSA-N
XLogP1.30
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-quinolin-7-ylacetamide
CID 171395555
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 167168339
N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442859
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442855
3-(1H-indazol-7-ylamino)-1,3-dihydroindol-2-one
CID 43730911
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 164573617
N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide
CID 175971325
N,5-dimethyl-N-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1H-indazole-7-sulfonamide
CID 175971341
N-methyl-2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43214747
2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide
CID 9187509
2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 16770871
N-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 9178373

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 171395462) is 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide is Cc1cc(S(=O)(=O)N(C)CC(=O)NC2C(=O)Nc3ccccc32)c2[nH]ncc2c1.
What is the InChIKey of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is LMXPJPPFXZAVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-11-7-12-9-20-23-17(12)15(8-11)29(27,28)24(2)10-16(25)22-18-13-5-3-4-6-14(13)21-19(18)26/h3-9,18H,10H2,1-2H3,(H,20,23)(H,21,26)(H,22,25).
What are the key properties of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 413.46 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 171395462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).