N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide

C30H29N3O4S — CID 155538432

IUPACN-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(CCc4ccc(C(=O)Nc5ccccc5N)cc4)c32)cc1
InChIInChI=1S/C30H29N3O4S/c1-37-25-15-17-26(18-16-25)38(35,36)33-20-19-23-6-4-5-22(29(23)33)12-9-21-10-13-24(14-11-21)30(34)32-28-8-3-2-7-27(28)31/h2-8,10-11,13-18H,9,12,19-20,31H2,1H3,(H,32,34)
InChIKeyYWIRHNMNOZNYHC-UHFFFAOYSA-N
MW527.65 g/mol
LogP5.07
Rot. Bonds8

About N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide

N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide (PubChem CID 155538432) has the molecular formula C30H29N3O4S and a molecular weight of 527.65 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide
PubChem CID155538432
Molecular FormulaC30H29N3O4S
Molecular Weight527.65 g/mol
Exact Mass527.19
IUPAC NameN-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(CCc4ccc(C(=O)Nc5ccccc5N)cc4)c32)cc1
InChIInChI=1S/C30H29N3O4S/c1-37-25-15-17-26(18-16-25)38(35,36)33-20-19-23-6-4-5-22(29(23)33)12-9-21-10-13-24(14-11-21)30(34)32-28-8-3-2-7-27(28)31/h2-8,10-11,13-18H,9,12,19-20,31H2,1H3,(H,32,34)
InChIKeyYWIRHNMNOZNYHC-UHFFFAOYSA-N
XLogP5.07
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide (CID 155538432) is N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide is COc1ccc(S(=O)(=O)N2CCc3cccc(CCc4ccc(C(=O)Nc5ccccc5N)cc4)c32)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide?
The InChIKey is YWIRHNMNOZNYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4S/c1-37-25-15-17-26(18-16-25)38(35,36)33-20-19-23-6-4-5-22(29(23)33)12-9-21-10-13-24(14-11-21)30(34)32-28-8-3-2-7-27(28)31/h2-8,10-11,13-18H,9,12,19-20,31H2,1H3,(H,32,34).
What are the key properties of N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide?
N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide has a molecular weight of 527.65 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide is sourced from PubChem (CID 155538432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).