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

C29H28N4O4S — CID 155565261

IUPACN-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide
SMILESCOc1cccc(S(=O)(=O)N2CCc3cccc(NCc4ccc(C(=O)Nc5ccccc5N)cc4)c32)c1
InChIInChI=1S/C29H28N4O4S/c1-37-23-7-5-8-24(18-23)38(35,36)33-17-16-21-6-4-11-27(28(21)33)31-19-20-12-14-22(15-13-20)29(34)32-26-10-3-2-9-25(26)30/h2-15,18,31H,16-17,19,30H2,1H3,(H,32,34)
InChIKeyBMQPRKTXMJQIHV-UHFFFAOYSA-N
MW528.63 g/mol
LogP4.89
Rot. Bonds8

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

N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide (PubChem CID 155565261) has the molecular formula C29H28N4O4S and a molecular weight of 528.63 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide
PubChem CID155565261
Molecular FormulaC29H28N4O4S
Molecular Weight528.63 g/mol
Exact Mass528.18
IUPAC NameN-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide
SMILESCOc1cccc(S(=O)(=O)N2CCc3cccc(NCc4ccc(C(=O)Nc5ccccc5N)cc4)c32)c1
InChIInChI=1S/C29H28N4O4S/c1-37-23-7-5-8-24(18-23)38(35,36)33-17-16-21-6-4-11-27(28(21)33)31-19-20-12-14-22(15-13-20)29(34)32-26-10-3-2-9-25(26)30/h2-15,18,31H,16-17,19,30H2,1H3,(H,32,34)
InChIKeyBMQPRKTXMJQIHV-UHFFFAOYSA-N
XLogP4.89
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[[[1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide
CID 155525771
N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895
N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
CID 22478761
4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993216
N-(2-butoxy-5-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55675353
4-[[2-amino-4-[(3-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2-aminophenyl)benzamide
CID 162670161
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639
N-(2-aminophenyl)-4-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478791
(4-methylpiperazin-1-yl)methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 22668103
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2642201
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119420648

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide (CID 155565261) is N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide is COc1cccc(S(=O)(=O)N2CCc3cccc(NCc4ccc(C(=O)Nc5ccccc5N)cc4)c32)c1.
What is the InChIKey of N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide?
The InChIKey is BMQPRKTXMJQIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4S/c1-37-23-7-5-8-24(18-23)38(35,36)33-17-16-21-6-4-11-27(28(21)33)31-19-20-12-14-22(15-13-20)29(34)32-26-10-3-2-9-25(26)30/h2-15,18,31H,16-17,19,30H2,1H3,(H,32,34).
What are the key properties of N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide has a molecular weight of 528.63 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide is sourced from PubChem (CID 155565261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).