N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide

C28H28N4O2S — CID 22459288

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)cs3)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C28H28N4O2S/c1-31-14-16-32(17-15-31)25-18-23(12-13-26(25)34-2)29-27(33)21-8-10-22(11-9-21)28-30-24(19-35-28)20-6-4-3-5-7-20/h3-13,18-19H,14-17H2,1-2H3,(H,29,33)
InChIKeyVCJSSOWZFMUWGD-UHFFFAOYSA-N
MW484.63 g/mol
LogP5.49
Rot. Bonds6

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 22459288) has the molecular formula C28H28N4O2S and a molecular weight of 484.63 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID22459288
Molecular FormulaC28H28N4O2S
Molecular Weight484.63 g/mol
Exact Mass484.19
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)cs3)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C28H28N4O2S/c1-31-14-16-32(17-15-31)25-18-23(12-13-26(25)34-2)29-27(33)21-8-10-22(11-9-21)28-30-24(19-35-28)20-6-4-3-5-7-20/h3-13,18-19H,14-17H2,1-2H3,(H,29,33)
InChIKeyVCJSSOWZFMUWGD-UHFFFAOYSA-N
XLogP5.49
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
4-[2-amino-3-[amino(hydroxy)methyl]-5-phenylphenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 143419282
3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide
CID 59828948
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;dihydrochloride
CID 24848519
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 108727383
3,5-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286288
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[[(3-methoxy-2-oxopropyl)amino]methyl]-2-methylphenyl]benzamide
CID 18960599
4-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 19007040
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
methyl 4-methoxy-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]benzoate
CID 70809689

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 22459288) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide is COc1ccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)cs3)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VCJSSOWZFMUWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2S/c1-31-14-16-32(17-15-31)25-18-23(12-13-26(25)34-2)29-27(33)21-8-10-22(11-9-21)28-30-24(19-35-28)20-6-4-3-5-7-20/h3-13,18-19H,14-17H2,1-2H3,(H,29,33).
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 484.63 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22459288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).