N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

C23H18N4O3S2 — CID 1450373

IUPACN-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1)c1cccnc1
InChIInChI=1S/C23H18N4O3S2/c28-22(18-5-4-11-24-14-18)26-23-25-20(15-31-23)16-8-9-21-17(13-16)10-12-27(21)32(29,30)19-6-2-1-3-7-19/h1-9,11,13-15H,10,12H2,(H,25,26,28)
InChIKeyNPUABNYTTSHYKI-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.21
Rot. Bonds5

About N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 1450373) has the molecular formula C23H18N4O3S2 and a molecular weight of 462.56 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID1450373
Molecular FormulaC23H18N4O3S2
Molecular Weight462.56 g/mol
Exact Mass462.08
IUPAC NameN-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1)c1cccnc1
InChIInChI=1S/C23H18N4O3S2/c28-22(18-5-4-11-24-14-18)26-23-25-20(15-31-23)16-8-9-21-17(13-16)10-12-27(21)32(29,30)19-6-2-1-3-7-19/h1-9,11,13-15H,10,12H2,(H,25,26,28)
InChIKeyNPUABNYTTSHYKI-UHFFFAOYSA-N
XLogP4.21
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide
CID 1383828
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 1450598
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 2447288
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 3651034
1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801358
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2501912
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1458463
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4067307
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4064780

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 1450373) is N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1)c1cccnc1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is NPUABNYTTSHYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S2/c28-22(18-5-4-11-24-14-18)26-23-25-20(15-31-23)16-8-9-21-17(13-16)10-12-27(21)32(29,30)19-6-2-1-3-7-19/h1-9,11,13-15H,10,12H2,(H,25,26,28).
What are the key properties of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 462.56 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1450373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).