3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide

C24H19BrN2O4S — CID 141470890

IUPAC3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Br)cc1
InChIInChI=1S/C24H19BrN2O4S/c1-30-17-7-5-8-18(31-2)20(17)23(28)26-14-10-12-15(13-11-14)27-24(29)22-21(25)16-6-3-4-9-19(16)32-22/h3-13H,1-2H3,(H,26,28)(H,27,29)
InChIKeyDRWJIXXXORNAKA-UHFFFAOYSA-N
MW511.40 g/mol
LogP6.19
Rot. Bonds6

About 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide

3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 141470890) has the molecular formula C24H19BrN2O4S and a molecular weight of 511.40 g/mol. Its IUPAC name is 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide
PubChem CID141470890
Molecular FormulaC24H19BrN2O4S
Molecular Weight511.40 g/mol
Exact Mass510.02
IUPAC Name3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Br)cc1
InChIInChI=1S/C24H19BrN2O4S/c1-30-17-7-5-8-18(31-2)20(17)23(28)26-14-10-12-15(13-11-14)27-24(29)22-21(25)16-6-3-4-9-19(16)32-22/h3-13H,1-2H3,(H,26,28)(H,27,29)
InChIKeyDRWJIXXXORNAKA-UHFFFAOYSA-N
XLogP6.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.40
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide 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

3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 86129650
3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 18376667
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane
CID 160752095
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693937
3-chloro-N-[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl]-1-benzothiophene-2-carboxamide
CID 11784869
3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide
CID 163283697
N-[4-(carbamoylamino)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 33154115

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide (CID 141470890) is 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide is COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Br)cc1.
What is the InChIKey of 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is DRWJIXXXORNAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O4S/c1-30-17-7-5-8-18(31-2)20(17)23(28)26-14-10-12-15(13-11-14)27-24(29)22-21(25)16-6-3-4-9-19(16)32-22/h3-13H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide?
3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 511.40 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 141470890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).