N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide

C26H28N4O3S2 — CID 41004761

IUPACN-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C26H28N4O3S2/c1-3-17-29(18-4-2)35(32,33)22-14-12-20(13-15-22)25(31)30(19-21-9-7-8-16-27-21)26-28-23-10-5-6-11-24(23)34-26/h5-16H,3-4,17-19H2,1-2H3
InChIKeyNTESLORIJRKYGG-UHFFFAOYSA-N
MW508.67 g/mol
LogP5.35
Rot. Bonds10

About N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide

N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 41004761) has the molecular formula C26H28N4O3S2 and a molecular weight of 508.67 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID41004761
Molecular FormulaC26H28N4O3S2
Molecular Weight508.67 g/mol
Exact Mass508.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C26H28N4O3S2/c1-3-17-29(18-4-2)35(32,33)22-14-12-20(13-15-22)25(31)30(19-21-9-7-8-16-27-21)26-28-23-10-5-6-11-24(23)34-26/h5-16H,3-4,17-19H2,1-2H3
InChIKeyNTESLORIJRKYGG-UHFFFAOYSA-N
XLogP5.35
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 41149119
4-(dibutylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987937
4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055606
4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987973
N-(1,3-benzothiazol-2-yl)-4-bromo-N-(pyridin-2-ylmethyl)benzamide
CID 41004756
4-[bis(2-cyanoethyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43988318
4-[butyl(ethyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987792
4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987951
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide
CID 41109487
4-[bis(2-methylpropyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987979
4-[butyl(ethyl)sulfamoyl]-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987665
4-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41047133

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide (CID 41004761) is N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is NTESLORIJRKYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S2/c1-3-17-29(18-4-2)35(32,33)22-14-12-20(13-15-22)25(31)30(19-21-9-7-8-16-27-21)26-28-23-10-5-6-11-24(23)34-26/h5-16H,3-4,17-19H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 508.67 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 41004761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).