methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate

C18H15N3O6S2 — CID 4871578

IUPACmethyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)ccc2c1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C18H15N3O6S2/c1-26-9-3-5-11-13(7-9)19-16(17(22)27-2)15(11)21-29(24,25)10-4-6-12-14(8-10)28-18(23)20-12/h3-8,19,21H,1-2H3,(H,20,23)
InChIKeyHFMKUPZLJOCZKP-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.67
Rot. Bonds5

About methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate

methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate (PubChem CID 4871578) has the molecular formula C18H15N3O6S2 and a molecular weight of 433.47 g/mol. Its IUPAC name is methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate
PubChem CID4871578
Molecular FormulaC18H15N3O6S2
Molecular Weight433.47 g/mol
Exact Mass433.04
IUPAC Namemethyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)ccc2c1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C18H15N3O6S2/c1-26-9-3-5-11-13(7-9)19-16(17(22)27-2)15(11)21-29(24,25)10-4-6-12-14(8-10)28-18(23)20-12/h3-8,19,21H,1-2H3,(H,20,23)
InChIKeyHFMKUPZLJOCZKP-UHFFFAOYSA-N
XLogP2.67
TPSA130.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate 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

methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 666984
methyl 6-methoxy-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate
CID 7530140
cis-(1S,3R)-3-[(6-methoxy-2-methoxycarbonyl-1H-indol-3-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95369747
N-(3-fluoro-4-methylphenyl)-2-oxo-3H-1,3-benzothiazole-6-sulfonamide
CID 5207630
methyl 3-(benzylcarbamothioylamino)-6-methoxy-1H-indole-2-carboxylate
CID 5135430
N-(2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586552
methyl 3-(1,3-benzodioxole-5-carbonylamino)-6-methoxy-1H-indole-2-carboxylate
CID 662670
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-3H-1,3-benzothiazole-6-sulfonamide
CID 15998071
methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate
CID 5127951
6-[hydroxy-(4-methoxyphenyl)methyl]-3H-1,3-benzothiazol-2-one
CID 19811964
(E)-3-[3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]phenyl]prop-2-enoic acid
CID 166397291
methyl 6-methoxy-3-[2-(3-methylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate
CID 3772154

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate (CID 4871578) is methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(OC)ccc2c1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1.
What is the InChIKey of methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate?
The InChIKey is HFMKUPZLJOCZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6S2/c1-26-9-3-5-11-13(7-9)19-16(17(22)27-2)15(11)21-29(24,25)10-4-6-12-14(8-10)28-18(23)20-12/h3-8,19,21H,1-2H3,(H,20,23).
What are the key properties of methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate?
methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate has a molecular weight of 433.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 4871578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).