2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide

C19H22N2O3S2 — CID 100735989

IUPAC2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(C)C)ccc21
InChIInChI=1S/C19H22N2O3S2/c1-4-11-21-17-10-9-14(12-18(17)25-19(21)22)26(23,24)20-16-8-6-5-7-15(16)13(2)3/h5-10,12-13,20H,4,11H2,1-3H3
InChIKeyPQNAJLPRBDRUGB-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.40
Rot. Bonds6

About 2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide

2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide (PubChem CID 100735989) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
PubChem CID100735989
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(C)C)ccc21
InChIInChI=1S/C19H22N2O3S2/c1-4-11-21-17-10-9-14(12-18(17)25-19(21)22)26(23,24)20-16-8-6-5-7-15(16)13(2)3/h5-10,12-13,20H,4,11H2,1-3H3
InChIKeyPQNAJLPRBDRUGB-UHFFFAOYSA-N
XLogP4.40
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-(2-propan-2-yloxyphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100738641
3-[(4-chlorophenyl)methyl]-2-oxo-N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 100751485
N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 133207617
N-[1-(2-methylphenyl)ethyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 133207661
2-oxo-3-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]-1,3-benzothiazole-6-sulfonamide
CID 133220456
N-(4-chloro-2-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100735297
N-(4-fluoro-2-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075152
N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075154
N-(2-ethyl-6-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736009
2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 100735863
N-(5-methyl-2-pyridinyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075107
N-[4-(diethylsulfamoyl)phenyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736426

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide (CID 100735989) is 2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide is CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(C)C)ccc21.
What is the InChIKey of 2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is PQNAJLPRBDRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-4-11-21-17-10-9-14(12-18(17)25-19(21)22)26(23,24)20-16-8-6-5-7-15(16)13(2)3/h5-10,12-13,20H,4,11H2,1-3H3.
What are the key properties of 2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide?
2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 100735989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).