5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide

C20H24N2O4S — CID 33237289

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC
InChIInChI=1S/C20H24N2O4S/c1-4-21(5-2)20(23)17-14-16(10-11-19(17)26-3)27(24,25)22-13-12-15-8-6-7-9-18(15)22/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyXQXSXRMKMGFWNF-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.93
Rot. Bonds6

About 5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide (PubChem CID 33237289) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
PubChem CID33237289
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC
InChIInChI=1S/C20H24N2O4S/c1-4-21(5-2)20(23)17-14-16(10-11-19(17)26-3)27(24,25)22-13-12-15-8-6-7-9-18(15)22/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyXQXSXRMKMGFWNF-UHFFFAOYSA-N
XLogP2.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55993117
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 41152863
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 55990047
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 16535116
[2-(ethylcarbamoylamino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2632427
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
(4-acetylphenyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2710037
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide (CID 33237289) is 5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide is CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide?
The InChIKey is XQXSXRMKMGFWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-21(5-2)20(23)17-14-16(10-11-19(17)26-3)27(24,25)22-13-12-15-8-6-7-9-18(15)22/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide is sourced from PubChem (CID 33237289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).