4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide

C26H28N4O3S2 — CID 41003908

IUPAC4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C26H28N4O3S2/c1-3-29(4-2)18-19-30(26-27-23-12-8-9-13-24(23)34-26)25(31)20-14-16-21(17-15-20)28-35(32,33)22-10-6-5-7-11-22/h5-17,28H,3-4,18-19H2,1-2H3
InChIKeyPFIHAOFRTHYDSH-UHFFFAOYSA-N
MW508.67 g/mol
LogP5.09
Rot. Bonds10

About 4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide

4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 41003908) has the molecular formula C26H28N4O3S2 and a molecular weight of 508.67 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
PubChem CID41003908
Molecular FormulaC26H28N4O3S2
Molecular Weight508.67 g/mol
Exact Mass508.16
IUPAC Name4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C26H28N4O3S2/c1-3-29(4-2)18-19-30(26-27-23-12-8-9-13-24(23)34-26)25(31)20-14-16-21(17-15-20)28-35(32,33)22-10-6-5-7-11-22/h5-17,28H,3-4,18-19H2,1-2H3
InChIKeyPFIHAOFRTHYDSH-UHFFFAOYSA-N
XLogP5.09
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonamido)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 43962977
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methylsulfonylbenzamide;hydrochloride
CID 44927861
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)benzamide;hydrochloride
CID 44922718
4-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 43962980
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993650
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-ethylsulfonylbenzamide
CID 41044817
4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 44922743
N-(1,3-benzothiazol-2-yl)-4-[benzyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 44922800
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-(propan-2-ylsulfamoyl)benzamide
CID 16600618
N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide
CID 7577360
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]naphthalene-2-carboxamide
CID 41026972
N-(1,3-benzothiazol-2-yl)-4-[butyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 44922796

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide (CID 41003908) is 4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1nc2ccccc2s1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is PFIHAOFRTHYDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S2/c1-3-29(4-2)18-19-30(26-27-23-12-8-9-13-24(23)34-26)25(31)20-14-16-21(17-15-20)28-35(32,33)22-10-6-5-7-11-22/h5-17,28H,3-4,18-19H2,1-2H3.
What are the key properties of 4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide?
4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 508.67 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 41003908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).