methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate

C26H26N2O6S — CID 55514916

IUPACmethyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C26H26N2O6S/c1-27(17-18-7-5-4-6-8-18)35(31,32)24-16-20(10-12-23(24)33-2)25(29)28-14-13-19-15-21(26(30)34-3)9-11-22(19)28/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyCAWCKRRODRVVBU-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.51
Rot. Bonds7

About methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 55514916) has the molecular formula C26H26N2O6S and a molecular weight of 494.57 g/mol. Its IUPAC name is methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate
PubChem CID55514916
Molecular FormulaC26H26N2O6S
Molecular Weight494.57 g/mol
Exact Mass494.15
IUPAC Namemethyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C26H26N2O6S/c1-27(17-18-7-5-4-6-8-18)35(31,32)24-16-20(10-12-23(24)33-2)25(29)28-14-13-19-15-21(26(30)34-3)9-11-22(19)28/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyCAWCKRRODRVVBU-UHFFFAOYSA-N
XLogP3.51
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 26290496
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 52770474
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 31118187
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 26290539
methyl 1-benzylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 47019071
(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 28577191
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 55387091

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate (CID 55514916) is methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is CAWCKRRODRVVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6S/c1-27(17-18-7-5-4-6-8-18)35(31,32)24-16-20(10-12-23(24)33-2)25(29)28-14-13-19-15-21(26(30)34-3)9-11-22(19)28/h4-12,15-16H,13-14,17H2,1-3H3.
What are the key properties of methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 494.57 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55514916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).