N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide

C24H20BrClN2O2S — CID 3513264

IUPACN-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H20BrClN2O2S/c1-30-21-11-10-17(26)14-19(21)24(29)27-12-13-31-23-18-4-2-3-5-20(18)28-22(23)15-6-8-16(25)9-7-15/h2-11,14,28H,12-13H2,1H3,(H,27,29)
InChIKeyORMDPLUPYUKDGD-UHFFFAOYSA-N
MW515.86 g/mol
LogP6.78
Rot. Bonds7

About N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide

N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide (PubChem CID 3513264) has the molecular formula C24H20BrClN2O2S and a molecular weight of 515.86 g/mol. Its IUPAC name is N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide
PubChem CID3513264
Molecular FormulaC24H20BrClN2O2S
Molecular Weight515.86 g/mol
Exact Mass514.01
IUPAC NameN-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H20BrClN2O2S/c1-30-21-11-10-17(26)14-19(21)24(29)27-12-13-31-23-18-4-2-3-5-20(18)28-22(23)15-6-8-16(25)9-7-15/h2-11,14,28H,12-13H2,1H3,(H,27,29)
InChIKeyORMDPLUPYUKDGD-UHFFFAOYSA-N
XLogP6.78
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.86
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-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-chloro-N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 5115206
5-chloro-2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 4090408
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 3370297
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2,4-dimethoxybenzamide
CID 5082570
N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 4103692
3-bromo-N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4140285
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-ethoxybenzamide
CID 4277956
2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 5183643
3-methoxy-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 3249034
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-methylbenzamide
CID 4107374
2-(3,4-dimethoxyphenyl)-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
CID 2156544
N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4-dimethylbenzamide
CID 3564325

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide (CID 3513264) is N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12.
What is the InChIKey of N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide?
The InChIKey is ORMDPLUPYUKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrClN2O2S/c1-30-21-11-10-17(26)14-19(21)24(29)27-12-13-31-23-18-4-2-3-5-20(18)28-22(23)15-6-8-16(25)9-7-15/h2-11,14,28H,12-13H2,1H3,(H,27,29).
What are the key properties of N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide?
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide has a molecular weight of 515.86 g/mol, XLogP of 6.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 3513264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).