N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

C21H24N4O5S2 — CID 24899513

IUPACN-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCOCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NC(CO)CS3)cc2c1
InChIInChI=1S/C21H24N4O5S2/c1-25(32(27,28)19-5-3-4-6-22-19)18-11-16(30-8-7-29-2)9-14-10-17(24-20(14)18)21-23-15(12-26)13-31-21/h3-6,9-11,15,24,26H,7-8,12-13H2,1-2H3
InChIKeyBEYYLQOWGYFPAA-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.27
Rot. Bonds9

About N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (PubChem CID 24899513) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
PubChem CID24899513
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC NameN-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCOCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NC(CO)CS3)cc2c1
InChIInChI=1S/C21H24N4O5S2/c1-25(32(27,28)19-5-3-4-6-22-19)18-11-16(30-8-7-29-2)9-14-10-17(24-20(14)18)21-23-15(12-26)13-31-21/h3-6,9-11,15,24,26H,7-8,12-13H2,1-2H3
InChIKeyBEYYLQOWGYFPAA-UHFFFAOYSA-N
XLogP2.27
TPSA117.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (CID 24899513) is N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NC(CO)CS3)cc2c1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The InChIKey is BEYYLQOWGYFPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-25(32(27,28)19-5-3-4-6-22-19)18-11-16(30-8-7-29-2)9-14-10-17(24-20(14)18)21-23-15(12-26)13-31-21/h3-6,9-11,15,24,26H,7-8,12-13H2,1-2H3.
What are the key properties of N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide has a molecular weight of 476.58 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 24899513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).