N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide

C27H29N5O4S — CID 24989474

IUPACN-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESCS(=O)(=O)N1CCN(c2n[nH]c3ccc(NC(=O)Cc4ccc(OCc5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C27H29N5O4S/c1-37(34,35)32-15-13-31(14-16-32)27-24-18-22(9-12-25(24)29-30-27)28-26(33)17-20-7-10-23(11-8-20)36-19-21-5-3-2-4-6-21/h2-12,18H,13-17,19H2,1H3,(H,28,33)(H,29,30)
InChIKeyXLUKUMXCOFWBGA-UHFFFAOYSA-N
MW519.63 g/mol
LogP3.40
Rot. Bonds8

About N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide

N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 24989474) has the molecular formula C27H29N5O4S and a molecular weight of 519.63 g/mol. Its IUPAC name is N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID24989474
Molecular FormulaC27H29N5O4S
Molecular Weight519.63 g/mol
Exact Mass519.19
IUPAC NameN-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESCS(=O)(=O)N1CCN(c2n[nH]c3ccc(NC(=O)Cc4ccc(OCc5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C27H29N5O4S/c1-37(34,35)32-15-13-31(14-16-32)27-24-18-22(9-12-25(24)29-30-27)28-26(33)17-20-7-10-23(11-8-20)36-19-21-5-3-2-4-6-21/h2-12,18H,13-17,19H2,1H3,(H,28,33)(H,29,30)
InChIKeyXLUKUMXCOFWBGA-UHFFFAOYSA-N
XLogP3.40
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.63
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-oxazol-2-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 24989114
N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide
CID 143824841
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
CID 46886304
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 16597782
N-[3-[(4-methylphenoxy)methyl]-4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 59549060
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
2-(4-methylsulfonylpiperazin-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 42653902
N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9137878
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide (CID 24989474) is N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide is CS(=O)(=O)N1CCN(c2n[nH]c3ccc(NC(=O)Cc4ccc(OCc5ccccc5)cc4)cc23)CC1.
What is the InChIKey of N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is XLUKUMXCOFWBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4S/c1-37(34,35)32-15-13-31(14-16-32)27-24-18-22(9-12-25(24)29-30-27)28-26(33)17-20-7-10-23(11-8-20)36-19-21-5-3-2-4-6-21/h2-12,18H,13-17,19H2,1H3,(H,28,33)(H,29,30).
What are the key properties of N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 519.63 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 24989474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).