N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide

C20H17BrN2O3S — CID 55879396

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide
SMILESO=C(CNC(=O)c1cccc(OCc2cccs2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H17BrN2O3S/c21-15-6-8-16(9-7-15)23-19(24)12-22-20(25)14-3-1-4-17(11-14)26-13-18-5-2-10-27-18/h1-11H,12-13H2,(H,22,25)(H,23,24)
InChIKeyIPKAVHIRJBKROP-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.46
Rot. Bonds7

About N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide

N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide (PubChem CID 55879396) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide
PubChem CID55879396
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide
SMILESO=C(CNC(=O)c1cccc(OCc2cccs2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H17BrN2O3S/c21-15-6-8-16(9-7-15)23-19(24)12-22-20(25)14-3-1-4-17(11-14)26-13-18-5-2-10-27-18/h1-11H,12-13H2,(H,22,25)(H,23,24)
InChIKeyIPKAVHIRJBKROP-UHFFFAOYSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide 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

N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55782491
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55804256
3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55670767
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 120948505
N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 120651028
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
CID 38033802
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 56581143
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55835910
N-(4-aminocyclohexyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119478873
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55723349
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
CID 55958832

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide (CID 55879396) is N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide is O=C(CNC(=O)c1cccc(OCc2cccs2)c1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide?
The InChIKey is IPKAVHIRJBKROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c21-15-6-8-16(9-7-15)23-19(24)12-22-20(25)14-3-1-4-17(11-14)26-13-18-5-2-10-27-18/h1-11H,12-13H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide has a molecular weight of 445.34 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide is sourced from PubChem (CID 55879396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).