5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide

C19H19N3O4S2 — CID 5094355

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1=NCCS1
InChIInChI=1S/C19H19N3O4S2/c1-26-17-7-6-14(12-15(17)18(23)21-19-20-9-11-27-19)28(24,25)22-10-8-13-4-2-3-5-16(13)22/h2-7,12H,8-11H2,1H3,(H,20,21,23)
InChIKeyVBSYDSTYDSKXLS-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.28
Rot. Bonds4

About 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide (PubChem CID 5094355) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
PubChem CID5094355
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1=NCCS1
InChIInChI=1S/C19H19N3O4S2/c1-26-17-7-6-14(12-15(17)18(23)21-19-20-9-11-27-19)28(24,25)22-10-8-13-4-2-3-5-16(13)22/h2-7,12H,8-11H2,1H3,(H,20,21,23)
InChIKeyVBSYDSTYDSKXLS-UHFFFAOYSA-N
XLogP2.28
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide 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

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide
CID 56573589
ethyl 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoyl]amino]thiadiazole-4-carboxylate
CID 55671175
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
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-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55993117
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]methanone
CID 41022438
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]methanone
CID 41022439

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide (CID 5094355) is 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1=NCCS1.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide?
The InChIKey is VBSYDSTYDSKXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-26-17-7-6-14(12-15(17)18(23)21-19-20-9-11-27-19)28(24,25)22-10-8-13-4-2-3-5-16(13)22/h2-7,12H,8-11H2,1H3,(H,20,21,23).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide has a molecular weight of 417.51 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 5094355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).