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

C18H16N2O4S2 — CID 149316624

IUPAC2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Cc2nccs2)cc1
InChIInChI=1S/C18H16N2O4S2/c1-24-16-5-3-2-4-15(16)18(21)20-13-6-8-14(9-7-13)26(22,23)12-17-19-10-11-25-17/h2-11H,12H2,1H3,(H,20,21)
InChIKeyXZQFTCPJLFNUJE-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.38
Rot. Bonds6

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

2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide (PubChem CID 149316624) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide
PubChem CID149316624
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Cc2nccs2)cc1
InChIInChI=1S/C18H16N2O4S2/c1-24-16-5-3-2-4-15(16)18(21)20-13-6-8-14(9-7-13)26(22,23)12-17-19-10-11-25-17/h2-11H,12H2,1H3,(H,20,21)
InChIKeyXZQFTCPJLFNUJE-UHFFFAOYSA-N
XLogP3.38
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
CID 153121275
3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid
CID 18683964
2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
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N-[4-(acetylsulfamoyl)phenyl]-2-methoxybenzamide
CID 803307
2-(2-ethoxyethoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 17122725
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 92646313
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-ethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078176
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide (CID 149316624) is 2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Cc2nccs2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide?
The InChIKey is XZQFTCPJLFNUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-24-16-5-3-2-4-15(16)18(21)20-13-6-8-14(9-7-13)26(22,23)12-17-19-10-11-25-17/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide?
2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 149316624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).