N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide

C29H24ClN3O3S — CID 89207228

IUPACN-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(-c2ccc3c(CC=O)cn(Cc4csc5ccc(Cl)cc45)c3c2)c1
InChIInChI=1S/C29H24ClN3O3S/c1-17(35)31-24-9-21(10-25(13-24)32-18(2)36)19-3-5-26-20(7-8-34)14-33(28(26)11-19)15-22-16-37-29-6-4-23(30)12-27(22)29/h3-6,8-14,16H,7,15H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyDAPOGLSBAYAMFJ-UHFFFAOYSA-N
MW530.05 g/mol
LogP6.88
Rot. Bonds7

About N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide

N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide (PubChem CID 89207228) has the molecular formula C29H24ClN3O3S and a molecular weight of 530.05 g/mol. Its IUPAC name is N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide
PubChem CID89207228
Molecular FormulaC29H24ClN3O3S
Molecular Weight530.05 g/mol
Exact Mass529.12
IUPAC NameN-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(-c2ccc3c(CC=O)cn(Cc4csc5ccc(Cl)cc45)c3c2)c1
InChIInChI=1S/C29H24ClN3O3S/c1-17(35)31-24-9-21(10-25(13-24)32-18(2)36)19-3-5-26-20(7-8-34)14-33(28(26)11-19)15-22-16-37-29-6-4-23(30)12-27(22)29/h3-6,8-14,16H,7,15H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyDAPOGLSBAYAMFJ-UHFFFAOYSA-N
XLogP6.88
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.05
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide (CID 89207228) is N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide is CC(=O)Nc1cc(NC(C)=O)cc(-c2ccc3c(CC=O)cn(Cc4csc5ccc(Cl)cc45)c3c2)c1.
What is the InChIKey of N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide?
The InChIKey is DAPOGLSBAYAMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O3S/c1-17(35)31-24-9-21(10-25(13-24)32-18(2)36)19-3-5-26-20(7-8-34)14-33(28(26)11-19)15-22-16-37-29-6-4-23(30)12-27(22)29/h3-6,8-14,16H,7,15H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide?
N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide has a molecular weight of 530.05 g/mol, XLogP of 6.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-3-(2-oxoethyl)indol-6-yl]phenyl]acetamide is sourced from PubChem (CID 89207228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).