N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide

C18H16N2O4S2 — CID 4880940

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccccc3S(C)(=O)=O)n2)cc1
InChIInChI=1S/C18H16N2O4S2/c1-24-13-9-7-12(8-10-13)15-11-25-18(19-15)20-17(21)14-5-3-4-6-16(14)26(2,22)23/h3-11H,1-2H3,(H,19,20,21)
InChIKeyILXAHLARLXOFRL-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.47
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide (PubChem CID 4880940) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
PubChem CID4880940
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccccc3S(C)(=O)=O)n2)cc1
InChIInChI=1S/C18H16N2O4S2/c1-24-13-9-7-12(8-10-13)15-11-25-18(19-15)20-17(21)14-5-3-4-6-16(14)26(2,22)23/h3-11H,1-2H3,(H,19,20,21)
InChIKeyILXAHLARLXOFRL-UHFFFAOYSA-N
XLogP3.47
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

T16AInh-A01
CID 135460621
ML277
CID 53347902
3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 980159
2-(4-fluorobenzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16799558
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
3-bromo-N-{[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl}-4-methoxybenzamide
CID 1400270
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 7254450

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide (CID 4880940) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide is COc1ccc(-c2csc(NC(=O)c3ccccc3S(C)(=O)=O)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The InChIKey is ILXAHLARLXOFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-24-13-9-7-12(8-10-13)15-11-25-18(19-15)20-17(21)14-5-3-4-6-16(14)26(2,22)23/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 4880940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).