2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide

C21H27N5O4S — CID 67314938

IUPAC2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC(COCc1ccccc1)c1[nH]nc2cc(NS(C)(=O)=O)ccc12
InChIInChI=1S/C21H27N5O4S/c1-21(2,22)20(27)23-18(13-30-12-14-7-5-4-6-8-14)19-16-10-9-15(26-31(3,28)29)11-17(16)24-25-19/h4-11,18,26H,12-13,22H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyZHYZFYJRQAFXGC-UHFFFAOYSA-N
MW445.55 g/mol
LogP2.05
Rot. Bonds9

About 2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide

2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide (PubChem CID 67314938) has the molecular formula C21H27N5O4S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
PubChem CID67314938
Molecular FormulaC21H27N5O4S
Molecular Weight445.55 g/mol
Exact Mass445.18
IUPAC Name2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC(COCc1ccccc1)c1[nH]nc2cc(NS(C)(=O)=O)ccc12
InChIInChI=1S/C21H27N5O4S/c1-21(2,22)20(27)23-18(13-30-12-14-7-5-4-6-8-14)19-16-10-9-15(26-31(3,28)29)11-17(16)24-25-19/h4-11,18,26H,12-13,22H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyZHYZFYJRQAFXGC-UHFFFAOYSA-N
XLogP2.05
TPSA139.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-methyl-N-[(1S)-1-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]-2,3-dihydrotetrazol-5-yl]-2-phenylmethoxyethyl]propanamide
CID 59118304
2-amino-2-methyl-N-(1-oxo-3-phenylmethoxypropan-2-yl)propanamide
CID 56998841
2-amino-N-[1-[6-[2-(methanesulfonamido)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride
CID 21222081
2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 10044493
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
CID 60512770
2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[1-[(E)-3-phenylprop-2-enyl]-2,3-dihydrotetrazol-5-yl]ethyl]propanamide
CID 59118307
2-amino-N-[(1S)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
CID 10068827
2-amino-N-[(1S)-1-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;methane
CID 159288015
N-[2-[(1S)-1-[[(1S)-2-amino-1-hydroxy-2-methylpropyl]amino]-2-phenylmethoxyethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 58635669
2-amino-2-methyl-N-[(1S)-1-(6-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 70800627
2-amino-N-[(1S)-1-(6-cyano-8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide
CID 58783900
2-amino-N-[(2R)-1-[1-(methanesulfonamido)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 22867399

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide (CID 67314938) is 2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide is CC(C)(N)C(=O)NC(COCc1ccccc1)c1[nH]nc2cc(NS(C)(=O)=O)ccc12.
What is the InChIKey of 2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
The InChIKey is ZHYZFYJRQAFXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S/c1-21(2,22)20(27)23-18(13-30-12-14-7-5-4-6-8-14)19-16-10-9-15(26-31(3,28)29)11-17(16)24-25-19/h4-11,18,26H,12-13,22H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of 2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide has a molecular weight of 445.55 g/mol, XLogP of 2.05, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[6-(methanesulfonamido)-2H-indazol-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide is sourced from PubChem (CID 67314938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).