2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide

C24H26ClN5O4S2 — CID 59456014

IUPAC2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)N)c1
InChIInChI=1S/C24H26ClN5O4S2/c1-24(2,26)23(31)27-13-15-6-4-7-16(12-15)14-30-17-8-5-9-18(34-3)21(17)22(28-30)29-36(32,33)20-11-10-19(25)35-20/h4-12H,13-14,26H2,1-3H3,(H,27,31)(H,28,29)
InChIKeySIBHOWSWIFTOMQ-UHFFFAOYSA-N
MW548.09 g/mol
LogP3.96
Rot. Bonds9

About 2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide

2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide (PubChem CID 59456014) has the molecular formula C24H26ClN5O4S2 and a molecular weight of 548.09 g/mol. Its IUPAC name is 2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide
PubChem CID59456014
Molecular FormulaC24H26ClN5O4S2
Molecular Weight548.09 g/mol
Exact Mass547.11
IUPAC Name2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)N)c1
InChIInChI=1S/C24H26ClN5O4S2/c1-24(2,26)23(31)27-13-15-6-4-7-16(12-15)14-30-17-8-5-9-18(34-3)21(17)22(28-30)29-36(32,33)20-11-10-19(25)35-20/h4-12H,13-14,26H2,1-3H3,(H,27,31)(H,28,29)
InChIKeySIBHOWSWIFTOMQ-UHFFFAOYSA-N
XLogP3.96
TPSA128.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.09
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide (CID 59456014) is 2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide is COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)N)c1.
What is the InChIKey of 2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide?
The InChIKey is SIBHOWSWIFTOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4S2/c1-24(2,26)23(31)27-13-15-6-4-7-16(12-15)14-30-17-8-5-9-18(34-3)21(17)22(28-30)29-36(32,33)20-11-10-19(25)35-20/h4-12H,13-14,26H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of 2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide?
2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide has a molecular weight of 548.09 g/mol, XLogP of 3.96, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 59456014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).