N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide

C23H28N2O6S — CID 19164410

IUPACN-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc(OC)c1OC
InChIInChI=1S/C23H28N2O6S/c1-29-20-13-16(14-21(30-2)22(20)31-3)23(26)25-11-10-15-12-18(8-9-19(15)25)32(27,28)24-17-6-4-5-7-17/h8-9,12-14,17,24H,4-7,10-11H2,1-3H3
InChIKeyFXWHXZXHIYFYAA-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.14
Rot. Bonds7

About N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide

N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 19164410) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID19164410
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC NameN-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc(OC)c1OC
InChIInChI=1S/C23H28N2O6S/c1-29-20-13-16(14-21(30-2)22(20)31-3)23(26)25-11-10-15-12-18(8-9-19(15)25)32(27,28)24-17-6-4-5-7-17/h8-9,12-14,17,24H,4-7,10-11H2,1-3H3
InChIKeyFXWHXZXHIYFYAA-UHFFFAOYSA-N
XLogP3.14
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 19164498
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164419
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
N-cyclopentyl-1-(2-propylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164449
4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864290
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-acetyl-2,3-dihydroindole-5-sulfonamide
CID 17487399
N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53057540

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide (CID 19164410) is N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide is COc1cc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc(OC)c1OC.
What is the InChIKey of N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FXWHXZXHIYFYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-29-20-13-16(14-21(30-2)22(20)31-3)23(26)25-11-10-15-12-18(8-9-19(15)25)32(27,28)24-17-6-4-5-7-17/h8-9,12-14,17,24H,4-7,10-11H2,1-3H3.
What are the key properties of N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 460.55 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 19164410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).