N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide

C23H29N3O6S2 — CID 3476307

IUPACN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1
InChIInChI=1S/C23H29N3O6S2/c1-6-10-26(11-7-2)34(28,29)16-8-9-17-20(14-16)33-23(24-17)25-22(27)15-12-18(30-3)21(32-5)19(13-15)31-4/h8-9,12-14H,6-7,10-11H2,1-5H3,(H,24,25,27)
InChIKeyVRKIUVZQUIVTRK-UHFFFAOYSA-N
MW507.63 g/mol
LogP4.39
Rot. Bonds11

About N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 3476307) has the molecular formula C23H29N3O6S2 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID3476307
Molecular FormulaC23H29N3O6S2
Molecular Weight507.63 g/mol
Exact Mass507.15
IUPAC NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1
InChIInChI=1S/C23H29N3O6S2/c1-6-10-26(11-7-2)34(28,29)16-8-9-17-20(14-16)33-23(24-17)25-22(27)15-12-18(30-3)21(32-5)19(13-15)31-4/h8-9,12-14H,6-7,10-11H2,1-5H3,(H,24,25,27)
InChIKeyVRKIUVZQUIVTRK-UHFFFAOYSA-N
XLogP4.39
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4062389
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
CID 4282059
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4575833
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 3457771
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide
CID 5075791
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189

Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide (CID 3476307) is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide is CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1.
What is the InChIKey of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is VRKIUVZQUIVTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S2/c1-6-10-26(11-7-2)34(28,29)16-8-9-17-20(14-16)33-23(24-17)25-22(27)15-12-18(30-3)21(32-5)19(13-15)31-4/h8-9,12-14H,6-7,10-11H2,1-5H3,(H,24,25,27).
What are the key properties of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide?
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 507.63 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 3476307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).