N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide

C20H18BrN3O4S — CID 18568020

IUPACN-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(Br)cc3)cs2)cc1OC
InChIInChI=1S/C20H18BrN3O4S/c1-27-16-8-3-12(9-17(16)28-2)19(26)24-20-23-15(11-29-20)10-18(25)22-14-6-4-13(21)5-7-14/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyRAKBFYYHNQLXJD-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.36
Rot. Bonds7

About N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide

N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide (PubChem CID 18568020) has the molecular formula C20H18BrN3O4S and a molecular weight of 476.35 g/mol. Its IUPAC name is N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
PubChem CID18568020
Molecular FormulaC20H18BrN3O4S
Molecular Weight476.35 g/mol
Exact Mass475.02
IUPAC NameN-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(Br)cc3)cs2)cc1OC
InChIInChI=1S/C20H18BrN3O4S/c1-27-16-8-3-12(9-17(16)28-2)19(26)24-20-23-15(11-29-20)10-18(25)22-14-6-4-13(21)5-7-14/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyRAKBFYYHNQLXJD-UHFFFAOYSA-N
XLogP4.36
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide 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-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
3,4-dimethoxy-N-[4-[2-(3-methylsulfanylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230290
N-[4-[2-(2-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568011
N-[4-[2-(butylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18567989
3,4-dimethoxy-N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567995
3,4-dimethoxy-N-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567997
3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568006
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27901869
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18567592
N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488414
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide (CID 18568020) is N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(Br)cc3)cs2)cc1OC.
What is the InChIKey of N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide?
The InChIKey is RAKBFYYHNQLXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O4S/c1-27-16-8-3-12(9-17(16)28-2)19(26)24-20-23-15(11-29-20)10-18(25)22-14-6-4-13(21)5-7-14/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide?
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide has a molecular weight of 476.35 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 18568020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).