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

C24H31N5O3S — CID 53322314

IUPAC3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide
SMILESCc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1
InChIInChI=1S/C24H31N5O3S/c1-15(2)27-24(30)18-6-5-7-19(12-18)29-23-11-16(3)10-22(21(23)14-26-29)25-13-17(4)28-33(31,32)20-8-9-20/h5-7,10-12,14-15,17,20,25,28H,8-9,13H2,1-4H3,(H,27,30)/t17-/m0/s1
InChIKeyFNYSDOWPXRIBND-KRWDZBQOSA-N
MW469.61 g/mol
LogP3.35
Rot. Bonds9

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

3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide (PubChem CID 53322314) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide
PubChem CID53322314
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide
SMILESCc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1
InChIInChI=1S/C24H31N5O3S/c1-15(2)27-24(30)18-6-5-7-19(12-18)29-23-11-16(3)10-22(21(23)14-26-29)25-13-17(4)28-33(31,32)20-8-9-20/h5-7,10-12,14-15,17,20,25,28H,8-9,13H2,1-4H3,(H,27,30)/t17-/m0/s1
InChIKeyFNYSDOWPXRIBND-KRWDZBQOSA-N
XLogP3.35
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide (CID 53322314) is 3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide is Cc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1.
What is the InChIKey of 3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide?
The InChIKey is FNYSDOWPXRIBND-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-15(2)27-24(30)18-6-5-7-19(12-18)29-23-11-16(3)10-22(21(23)14-26-29)25-13-17(4)28-33(31,32)20-8-9-20/h5-7,10-12,14-15,17,20,25,28H,8-9,13H2,1-4H3,(H,27,30)/t17-/m0/s1.
What are the key properties of 3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide?
3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 469.61 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 53322314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).