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

C21H24N2O4S — CID 9214483

IUPACN-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCCC1
InChIInChI=1S/C21H24N2O4S/c1-27-20-11-10-17(14-18(20)21(24)22-16-7-3-4-8-16)28(25,26)23-13-12-15-6-2-5-9-19(15)23/h2,5-6,9-11,14,16H,3-4,7-8,12-13H2,1H3,(H,22,24)
InChIKeyHVHOPUYTZZWXRU-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.12
Rot. Bonds5

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

N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide (PubChem CID 9214483) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
PubChem CID9214483
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCCC1
InChIInChI=1S/C21H24N2O4S/c1-27-20-11-10-17(14-18(20)21(24)22-16-7-3-4-8-16)28(25,26)23-13-12-15-6-2-5-9-19(15)23/h2,5-6,9-11,14,16H,3-4,7-8,12-13H2,1H3,(H,22,24)
InChIKeyHVHOPUYTZZWXRU-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
[(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
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 5094355
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
CID 33041380
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide
CID 6491405
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The IUPAC name of N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide (CID 9214483) is N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide.
What is the SMILES notation for N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The canonical SMILES for N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The InChIKey is HVHOPUYTZZWXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-27-20-11-10-17(14-18(20)21(24)22-16-7-3-4-8-16)28(25,26)23-13-12-15-6-2-5-9-19(15)23/h2,5-6,9-11,14,16H,3-4,7-8,12-13H2,1H3,(H,22,24).
What are the key properties of N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide has a molecular weight of 400.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide is sourced from PubChem (CID 9214483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).