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

C19H18N4O4S2 — CID 59135642

IUPACN-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NCC(C=O)S3)cc2c1
InChIInChI=1S/C19H18N4O4S2/c1-23(29(25,26)17-5-3-4-6-20-17)16-9-13(27-2)7-12-8-15(22-18(12)16)19-21-10-14(11-24)28-19/h3-9,11,14,22H,10H2,1-2H3
InChIKeyCLWWWJCMWONHBJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.46
Rot. Bonds6

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

N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (PubChem CID 59135642) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
PubChem CID59135642
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC NameN-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NCC(C=O)S3)cc2c1
InChIInChI=1S/C19H18N4O4S2/c1-23(29(25,26)17-5-3-4-6-20-17)16-9-13(27-2)7-12-8-15(22-18(12)16)19-21-10-14(11-24)28-19/h3-9,11,14,22H,10H2,1-2H3
InChIKeyCLWWWJCMWONHBJ-UHFFFAOYSA-N
XLogP2.46
TPSA104.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 59135845
2-[[7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]acetic acid
CID 59135788
N-[2-[5-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 24899774
N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 57476413
2-[[7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]butanoic acid
CID 68667921
N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 89040289
N-[2-[5-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-5-(3-methylperoxysulfanylpropoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 59136079
ethyl 2-[[7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]acetate
CID 59708332
N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 90712311
2-[[2-[5-(2-methoxyethoxy)-7-[methyl-(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl-methylamino]ethanol
CID 87420225
N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 59135961
N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide
CID 59135819

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (CID 59135642) is N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is COc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NCC(C=O)S3)cc2c1.
What is the InChIKey of N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The InChIKey is CLWWWJCMWONHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-23(29(25,26)17-5-3-4-6-20-17)16-9-13(27-2)7-12-8-15(22-18(12)16)19-21-10-14(11-24)28-19/h3-9,11,14,22H,10H2,1-2H3.
What are the key properties of N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide has a molecular weight of 430.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 59135642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).