N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide

C15H21N3O3S2 — CID 2138899

IUPACN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(C)=O)sc2c1
InChIInChI=1S/C15H21N3O3S2/c1-4-8-18(9-5-2)23(20,21)12-6-7-13-14(10-12)22-15(17-13)16-11(3)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17,19)
InChIKeyKWZQYSOEQSJTIV-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.07
Rot. Bonds7

About N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 2138899) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID2138899
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(C)=O)sc2c1
InChIInChI=1S/C15H21N3O3S2/c1-4-8-18(9-5-2)23(20,21)12-6-7-13-14(10-12)22-15(17-13)16-11(3)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17,19)
InChIKeyKWZQYSOEQSJTIV-UHFFFAOYSA-N
XLogP3.07
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
CID 3310020
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]octanamide
CID 5081796
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
CID 4282059
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 3476307
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4062389
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 3457771
2-(1,3-dioxoisoindol-2-yl)-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbutanamide
CID 4291516
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide
CID 5075791

Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide (CID 2138899) is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide is CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(C)=O)sc2c1.
What is the InChIKey of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is KWZQYSOEQSJTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-4-8-18(9-5-2)23(20,21)12-6-7-13-14(10-12)22-15(17-13)16-11(3)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17,19).
What are the key properties of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 355.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 2138899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).