N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C16H19N3O3S2 — CID 113202844

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCc3ncsc3C2)cc1
InChIInChI=1S/C16H19N3O3S2/c17-24(21,22)13-4-1-11(2-5-13)7-8-18-16(20)12-3-6-14-15(9-12)23-10-19-14/h1-2,4-5,10,12H,3,6-9H2,(H,18,20)(H2,17,21,22)
InChIKeyXLKLTZFJQXHJKI-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.25
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 113202844) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID113202844
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCc3ncsc3C2)cc1
InChIInChI=1S/C16H19N3O3S2/c17-24(21,22)13-4-1-11(2-5-13)7-8-18-16(20)12-3-6-14-15(9-12)23-10-19-14/h1-2,4-5,10,12H,3,6-9H2,(H,18,20)(H2,17,21,22)
InChIKeyXLKLTZFJQXHJKI-UHFFFAOYSA-N
XLogP1.25
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202912
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26015643
N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680730
N-(2-phenylethyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203155
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 81425700
N-(2-phenylethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203428
N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108942543
N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202857
1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 22552986
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 113202844) is N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2CCc3ncsc3C2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is XLKLTZFJQXHJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c17-24(21,22)13-4-1-11(2-5-13)7-8-18-16(20)12-3-6-14-15(9-12)23-10-19-14/h1-2,4-5,10,12H,3,6-9H2,(H,18,20)(H2,17,21,22).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 113202844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).