N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C25H21N3O4S — CID 27901869

IUPACN-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H21N3O4S/c1-31-21-9-5-6-10-22(21)32-20-13-11-18(12-14-20)26-23(29)15-19-16-33-25(27-19)28-24(30)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,26,29)(H,27,28,30)
InChIKeyPFNTUUDZDZUYSQ-UHFFFAOYSA-N
MW459.53 g/mol
LogP5.38
Rot. Bonds8

About N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 27901869) has the molecular formula C25H21N3O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID27901869
Molecular FormulaC25H21N3O4S
Molecular Weight459.53 g/mol
Exact Mass459.13
IUPAC NameN-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H21N3O4S/c1-31-21-9-5-6-10-22(21)32-20-13-11-18(12-14-20)26-23(29)15-19-16-33-25(27-19)28-24(30)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,26,29)(H,27,28,30)
InChIKeyPFNTUUDZDZUYSQ-UHFFFAOYSA-N
XLogP5.38
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568020
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841919
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 34934455
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901848
2-fluoro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 55704463
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 27901869) is N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is COc1ccccc1Oc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is PFNTUUDZDZUYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S/c1-31-21-9-5-6-10-22(21)32-20-13-11-18(12-14-20)26-23(29)15-19-16-33-25(27-19)28-24(30)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,26,29)(H,27,28,30).
What are the key properties of N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 459.53 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 27901869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).