N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C20H21N3O4S2 — CID 24543349

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1nc2ccccc2s1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H21N3O4S2/c24-20(21-13-19-23-17-5-1-2-6-18(17)28-19)14-7-9-16(10-8-14)29(25,26)22-12-15-4-3-11-27-15/h1-2,5-10,15,22H,3-4,11-13H2,(H,21,24)
InChIKeyNSFAPPZLTZULND-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.68
Rot. Bonds7

About N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24543349) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24543349
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1nc2ccccc2s1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H21N3O4S2/c24-20(21-13-19-23-17-5-1-2-6-18(17)28-19)14-7-9-16(10-8-14)29(25,26)22-12-15-4-3-11-27-15/h1-2,5-10,15,22H,3-4,11-13H2,(H,21,24)
InChIKeyNSFAPPZLTZULND-UHFFFAOYSA-N
XLogP2.68
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40939133
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55585525
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2945072
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-(1,3-benzothiazol-2-ylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 31101472
4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 46468515
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059990
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24543349) is N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(NCc1nc2ccccc2s1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is NSFAPPZLTZULND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c24-20(21-13-19-23-17-5-1-2-6-18(17)28-19)14-7-9-16(10-8-14)29(25,26)22-12-15-4-3-11-27-15/h1-2,5-10,15,22H,3-4,11-13H2,(H,21,24).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 431.54 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24543349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).