(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide

C24H24ClN5O4S2 — CID 59456087

IUPAC(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@H]2CCN2)c1
InChIInChI=1S/C24H24ClN5O4S2/c1-34-19-7-3-6-18-22(19)23(29-36(32,33)21-9-8-20(25)35-21)28-30(18)14-16-5-2-4-15(12-16)13-27-24(31)17-10-11-26-17/h2-9,12,17,26H,10-11,13-14H2,1H3,(H,27,31)(H,28,29)/t17-/m1/s1
InChIKeyRSRMHBLEMDSWNU-QGZVFWFLSA-N
MW546.07 g/mol
LogP3.59
Rot. Bonds9

About (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide

(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide (PubChem CID 59456087) has the molecular formula C24H24ClN5O4S2 and a molecular weight of 546.07 g/mol. Its IUPAC name is (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide
PubChem CID59456087
Molecular FormulaC24H24ClN5O4S2
Molecular Weight546.07 g/mol
Exact Mass545.10
IUPAC Name(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@H]2CCN2)c1
InChIInChI=1S/C24H24ClN5O4S2/c1-34-19-7-3-6-18-22(19)23(29-36(32,33)21-9-8-20(25)35-21)28-30(18)14-16-5-2-4-15(12-16)13-27-24(31)17-10-11-26-17/h2-9,12,17,26H,10-11,13-14H2,1H3,(H,27,31)(H,28,29)/t17-/m1/s1
InChIKeyRSRMHBLEMDSWNU-QGZVFWFLSA-N
XLogP3.59
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.07
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide
CID 59456110
(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonothioylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 71243892
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]oxetane-2-carboxamide
CID 71583489
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 169430793
(2S,4S)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-4-fluoropyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66664206
2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59456070
[3-[(5-chlorothiophen-2-yl)sulfonylamino]-1-[[3-[[[(3S)-morpholine-3-carbonyl]amino]methyl]phenyl]methyl]indazol-4-yl] formate
CID 87095962
(2S)-2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]propanamide
CID 59456032
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 66664381
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 59456108
(2S)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)propanamide
CID 59456106
ethyl 4-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methylamino]-4-oxobutanoate
CID 56847221

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide?
The IUPAC name of (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide (CID 59456087) is (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide is COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@H]2CCN2)c1.
What is the InChIKey of (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide?
The InChIKey is RSRMHBLEMDSWNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24ClN5O4S2/c1-34-19-7-3-6-18-22(19)23(29-36(32,33)21-9-8-20(25)35-21)28-30(18)14-16-5-2-4-15(12-16)13-27-24(31)17-10-11-26-17/h2-9,12,17,26H,10-11,13-14H2,1H3,(H,27,31)(H,28,29)/t17-/m1/s1.
What are the key properties of (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide?
(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide has a molecular weight of 546.07 g/mol, XLogP of 3.59, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 59456087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).