N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide

C19H19N5O3S — CID 171442859

IUPACN-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)NC2=CC3=CN=CC3C=C2)c2[nH]ncc2c1
InChIInChI=1S/C19H19N5O3S/c1-12-5-15-10-21-23-19(15)17(6-12)28(26,27)24(2)11-18(25)22-16-4-3-13-8-20-9-14(13)7-16/h3-10,13H,11H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyVLXDXKFRXAGCOY-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.65
Rot. Bonds5

About N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide

N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide (PubChem CID 171442859) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
PubChem CID171442859
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)NC2=CC3=CN=CC3C=C2)c2[nH]ncc2c1
InChIInChI=1S/C19H19N5O3S/c1-12-5-15-10-21-23-19(15)17(6-12)28(26,27)24(2)11-18(25)22-16-4-3-13-8-20-9-14(13)7-16/h3-10,13H,11H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyVLXDXKFRXAGCOY-UHFFFAOYSA-N
XLogP1.65
TPSA107.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
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
2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 171395462
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-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442855
N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide
CID 175971325
2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
CID 171442889
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-[ethyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171442771
N,5-dimethyl-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]prop-2-enyl]-1H-indazole-7-sulfonamide
CID 171395492
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-[4-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]acetamide
CID 164573684
2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573495
(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
CID 171442826

Frequently Asked Questions

What is the IUPAC name of N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide (CID 171442859) is N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide is Cc1cc(S(=O)(=O)N(C)CC(=O)NC2=CC3=CN=CC3C=C2)c2[nH]ncc2c1.
What is the InChIKey of N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
The InChIKey is VLXDXKFRXAGCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-12-5-15-10-21-23-19(15)17(6-12)28(26,27)24(2)11-18(25)22-16-4-3-13-8-20-9-14(13)7-16/h3-10,13H,11H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide has a molecular weight of 397.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7aH-isoindol-5-yl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 171442859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).