N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide

C20H22N4O3S — CID 146121078

IUPACN-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12
InChIInChI=1S/C20H22N4O3S/c1-12(2)20(25)21-19-17-9-6-14(11-18(17)22-23-19)13-4-3-5-15(10-13)24-28(26,27)16-7-8-16/h3-6,9-12,16,24H,7-8H2,1-2H3,(H2,21,22,23,25)
InChIKeyRAIAORGFMNXPOV-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.73
Rot. Bonds6

About N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide

N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide (PubChem CID 146121078) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide
PubChem CID146121078
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12
InChIInChI=1S/C20H22N4O3S/c1-12(2)20(25)21-19-17-9-6-14(11-18(17)22-23-19)13-4-3-5-15(10-13)24-28(26,27)16-7-8-16/h3-6,9-12,16,24H,7-8H2,1-2H3,(H2,21,22,23,25)
InChIKeyRAIAORGFMNXPOV-UHFFFAOYSA-N
XLogP3.73
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide
CID 155535984
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155807685
N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155566480
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide
CID 108784094
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide
CID 69064173
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69061525
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
(2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 69066647
N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide
CID 130430933

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide (CID 146121078) is N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide is CC(C)C(=O)Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12.
What is the InChIKey of N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide?
The InChIKey is RAIAORGFMNXPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-12(2)20(25)21-19-17-9-6-14(11-18(17)22-23-19)13-4-3-5-15(10-13)24-28(26,27)16-7-8-16/h3-6,9-12,16,24H,7-8H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide?
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide has a molecular weight of 398.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 146121078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).