N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide

C23H28N6O4S — CID 50938547

IUPACN-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide
SMILESCc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)NCC(N)=O)c3)c2c1
InChIInChI=1S/C23H28N6O4S/c1-14-8-20(25-11-15(2)28-34(32,33)18-6-7-18)19-12-27-29(21(19)9-14)17-5-3-4-16(10-17)23(31)26-13-22(24)30/h3-5,8-10,12,15,18,25,28H,6-7,11,13H2,1-2H3,(H2,24,30)(H,26,31)/t15-/m0/s1
InChIKeyWQBWGGUOTFJZNX-HNNXBMFYSA-N
MW484.58 g/mol
LogP1.43
Rot. Bonds10

About N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide

N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide (PubChem CID 50938547) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide
PubChem CID50938547
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC NameN-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide
SMILESCc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)NCC(N)=O)c3)c2c1
InChIInChI=1S/C23H28N6O4S/c1-14-8-20(25-11-15(2)28-34(32,33)18-6-7-18)19-12-27-29(21(19)9-14)17-5-3-4-16(10-17)23(31)26-13-22(24)30/h3-5,8-10,12,15,18,25,28H,6-7,11,13H2,1-2H3,(H2,24,30)(H,26,31)/t15-/m0/s1
InChIKeyWQBWGGUOTFJZNX-HNNXBMFYSA-N
XLogP1.43
TPSA148.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide (CID 50938547) is N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide is Cc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)NCC(N)=O)c3)c2c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide?
The InChIKey is WQBWGGUOTFJZNX-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-14-8-20(25-11-15(2)28-34(32,33)18-6-7-18)19-12-27-29(21(19)9-14)17-5-3-4-16(10-17)23(31)26-13-22(24)30/h3-5,8-10,12,15,18,25,28H,6-7,11,13H2,1-2H3,(H2,24,30)(H,26,31)/t15-/m0/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide?
N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide has a molecular weight of 484.58 g/mol, XLogP of 1.43, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzamide is sourced from PubChem (CID 50938547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).