3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

C21H21N3O4S2 — CID 24648821

IUPAC3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H21N3O4S2/c25-20(24-17-8-6-15(7-9-17)21-22-10-12-29-21)16-3-1-5-19(13-16)30(26,27)23-14-18-4-2-11-28-18/h1,3,5-10,12-13,18,23H,2,4,11,14H2,(H,24,25)
InChIKeyOIIFIKQFBIDOHH-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.52
Rot. Bonds7

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

3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 24648821) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID24648821
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC Name3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H21N3O4S2/c25-20(24-17-8-6-15(7-9-17)21-22-10-12-29-21)16-3-1-5-19(13-16)30(26,27)23-14-18-4-2-11-28-18/h1,3,5-10,12-13,18,23H,2,4,11,14H2,(H,24,25)
InChIKeyOIIFIKQFBIDOHH-UHFFFAOYSA-N
XLogP3.52
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648789
N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46651547
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46539920
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 30711155
N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 30545290

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (CID 24648821) is 3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is OIIFIKQFBIDOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c25-20(24-17-8-6-15(7-9-17)21-22-10-12-29-21)16-3-1-5-19(13-16)30(26,27)23-14-18-4-2-11-28-18/h1,3,5-10,12-13,18,23H,2,4,11,14H2,(H,24,25).
What are the key properties of 3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 24648821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).