3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C19H19N3O4S2 — CID 7998856

IUPAC3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-26-17-5-3-2-4-14(17)6-11-18(23)21-15-7-9-16(10-8-15)28(24,25)22-19-20-12-13-27-19/h2-5,7-10,12-13H,6,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQDZBHKYWFRRSDI-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.52
Rot. Bonds8

About 3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 7998856) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID7998856
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-26-17-5-3-2-4-14(17)6-11-18(23)21-15-7-9-16(10-8-15)28(24,25)22-19-20-12-13-27-19/h2-5,7-10,12-13H,6,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQDZBHKYWFRRSDI-UHFFFAOYSA-N
XLogP3.52
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide
CID 1133320
4-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butan-2-yl]benzamide
CID 2531523
3-[5-(4-Methoxy-benzylidene)-2,4-dioxo-thiazolidin-3-yl]-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-propionamide
CID 5758223
1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2911388
4-(2,3-dimethylphenoxy)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}butanamide
CID 1575150
2,6-dimethoxy-N-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl}benzamide
CID 1983764
2-Phenoxy-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-propionamide
CID 2915094
2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 2983262
N-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-2-o-tolyloxy-propionamide
CID 3161313
2-(2,5-Dimethyl-phenoxy)-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-propionamide
CID 3163326
N-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-2-p-tolyloxy-butyramide
CID 3163983
4-{5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 6364952

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 7998856) is 3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is COc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is QDZBHKYWFRRSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-26-17-5-3-2-4-14(17)6-11-18(23)21-15-7-9-16(10-8-15)28(24,25)22-19-20-12-13-27-19/h2-5,7-10,12-13H,6,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 7998856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).