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

C18H19N3O5S — CID 9295743

IUPACN-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCC(N)=O
InChIInChI=1S/C18H19N3O5S/c1-26-16-7-6-13(10-14(16)18(23)20-11-17(19)22)27(24,25)21-9-8-12-4-2-3-5-15(12)21/h2-7,10H,8-9,11H2,1H3,(H2,19,22)(H,20,23)
InChIKeyTVWZKEGCVBLMKH-UHFFFAOYSA-N
MW389.43 g/mol
LogP0.66
Rot. Bonds6

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

N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide (PubChem CID 9295743) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
PubChem CID9295743
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCC(N)=O
InChIInChI=1S/C18H19N3O5S/c1-26-16-7-6-13(10-14(16)18(23)20-11-17(19)22)27(24,25)21-9-8-12-4-2-3-5-15(12)21/h2-7,10H,8-9,11H2,1H3,(H2,19,22)(H,20,23)
InChIKeyTVWZKEGCVBLMKH-UHFFFAOYSA-N
XLogP0.66
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
CID 33041380
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-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
ethyl 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoyl]amino]thiadiazole-4-carboxylate
CID 55671175
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2638520
[2-(ethylcarbamoylamino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2632427
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 5094355
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide (CID 9295743) is N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The InChIKey is TVWZKEGCVBLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-26-16-7-6-13(10-14(16)18(23)20-11-17(19)22)27(24,25)21-9-8-12-4-2-3-5-15(12)21/h2-7,10H,8-9,11H2,1H3,(H2,19,22)(H,20,23).
What are the key properties of N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide has a molecular weight of 389.43 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide is sourced from PubChem (CID 9295743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).