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

C26H28ClN5O4S2 — CID 59456110

IUPAC(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C26H28ClN5O4S2/c1-36-21-10-5-9-20-24(21)25(31-38(34,35)23-12-11-22(27)37-23)30-32(20)16-18-7-4-6-17(14-18)15-29-26(33)19-8-2-3-13-28-19/h4-7,9-12,14,19,28H,2-3,8,13,15-16H2,1H3,(H,29,33)(H,30,31)/t19-/m1/s1
InChIKeyBKWSVOITUDUHBY-LJQANCHMSA-N
MW574.13 g/mol
LogP4.37
Rot. Bonds9

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

(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide (PubChem CID 59456110) has the molecular formula C26H28ClN5O4S2 and a molecular weight of 574.13 g/mol. Its IUPAC name is (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide
PubChem CID59456110
Molecular FormulaC26H28ClN5O4S2
Molecular Weight574.13 g/mol
Exact Mass573.13
IUPAC Name(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C26H28ClN5O4S2/c1-36-21-10-5-9-20-24(21)25(31-38(34,35)23-12-11-22(27)37-23)30-32(20)16-18-7-4-6-17(14-18)15-29-26(33)19-8-2-3-13-28-19/h4-7,9-12,14,19,28H,2-3,8,13,15-16H2,1H3,(H,29,33)(H,30,31)/t19-/m1/s1
InChIKeyBKWSVOITUDUHBY-LJQANCHMSA-N
XLogP4.37
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.13
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]azetidine-2-carboxamide
CID 59456087
(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]piperidine-3-carboxamide;hydrochloride
CID 169430793
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]oxetane-2-carboxamide
CID 71583489
2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59456070
[2-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methylamino]-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate
CID 66664116
[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]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide (CID 59456110) is (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide is COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is BKWSVOITUDUHBY-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28ClN5O4S2/c1-36-21-10-5-9-20-24(21)25(31-38(34,35)23-12-11-22(27)37-23)30-32(20)16-18-7-4-6-17(14-18)15-29-26(33)19-8-2-3-13-28-19/h4-7,9-12,14,19,28H,2-3,8,13,15-16H2,1H3,(H,29,33)(H,30,31)/t19-/m1/s1.
What are the key properties of (2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide?
(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 574.13 g/mol, XLogP of 4.37, 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]piperidine-2-carboxamide is sourced from PubChem (CID 59456110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).