3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide

C24H33N5O3S — CID 53322904

IUPAC3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide
SMILESCCCS(=O)(=O)N[C@@H](C)CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C24H33N5O3S/c1-6-10-33(31,32)28-18(5)14-25-22-11-17(4)12-23-21(22)15-26-29(23)20-9-7-8-19(13-20)24(30)27-16(2)3/h7-9,11-13,15-16,18,25,28H,6,10,14H2,1-5H3,(H,27,30)/t18-/m0/s1
InChIKeyYDHALGTVGXCGJR-SFHVURJKSA-N
MW471.63 g/mol
LogP3.60
Rot. Bonds10

About 3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide

3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide (PubChem CID 53322904) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is 3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide
PubChem CID53322904
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC Name3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide
SMILESCCCS(=O)(=O)N[C@@H](C)CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C24H33N5O3S/c1-6-10-33(31,32)28-18(5)14-25-22-11-17(4)12-23-21(22)15-26-29(23)20-9-7-8-19(13-20)24(30)27-16(2)3/h7-9,11-13,15-16,18,25,28H,6,10,14H2,1-5H3,(H,27,30)/t18-/m0/s1
InChIKeyYDHALGTVGXCGJR-SFHVURJKSA-N
XLogP3.60
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide (CID 53322904) is 3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide is CCCS(=O)(=O)N[C@@H](C)CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide?
The InChIKey is YDHALGTVGXCGJR-SFHVURJKSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-6-10-33(31,32)28-18(5)14-25-22-11-17(4)12-23-21(22)15-26-29(23)20-9-7-8-19(13-20)24(30)27-16(2)3/h7-9,11-13,15-16,18,25,28H,6,10,14H2,1-5H3,(H,27,30)/t18-/m0/s1.
What are the key properties of 3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide?
3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 471.63 g/mol, XLogP of 3.60, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 53322904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).