N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide

C24H26ClN5O3S2 — CID 70852901

IUPACN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide
SMILESCCc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)CNC)c1
InChIInChI=1S/C24H26ClN5O3S2/c1-3-18-8-5-9-19-23(18)24(29-35(32,33)22-11-10-20(25)34-22)28-30(19)15-17-7-4-6-16(12-17)13-27-21(31)14-26-2/h4-12,26H,3,13-15H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyLSUQVEFJGSCRJS-UHFFFAOYSA-N
MW532.09 g/mol
LogP4.00
Rot. Bonds10

About N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide

N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide (PubChem CID 70852901) has the molecular formula C24H26ClN5O3S2 and a molecular weight of 532.09 g/mol. Its IUPAC name is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide
PubChem CID70852901
Molecular FormulaC24H26ClN5O3S2
Molecular Weight532.09 g/mol
Exact Mass531.12
IUPAC NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide
SMILESCCc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)CNC)c1
InChIInChI=1S/C24H26ClN5O3S2/c1-3-18-8-5-9-19-23(18)24(29-35(32,33)22-11-10-20(25)34-22)28-30(19)15-17-7-4-6-16(12-17)13-27-21(31)14-26-2/h4-12,26H,3,13-15H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyLSUQVEFJGSCRJS-UHFFFAOYSA-N
XLogP4.00
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.09
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide (CID 70852901) is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide is CCc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)CNC)c1.
What is the InChIKey of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide?
The InChIKey is LSUQVEFJGSCRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3S2/c1-3-18-8-5-9-19-23(18)24(29-35(32,33)22-11-10-20(25)34-22)28-30(19)15-17-7-4-6-16(12-17)13-27-21(31)14-26-2/h4-12,26H,3,13-15H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide?
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide has a molecular weight of 532.09 g/mol, XLogP of 4.00, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-ethylindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 70852901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).