4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide

C18H16F2N2O3S2 — CID 55340208

IUPAC4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
SMILESO=C(CCCc1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H16F2N2O3S2/c19-18(20)27(24,25)15-9-4-2-7-13(15)21-16(23)10-5-11-17-22-12-6-1-3-8-14(12)26-17/h1-4,6-9,18H,5,10-11H2,(H,21,23)
InChIKeyVBHWAACSPXSYAG-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.25
Rot. Bonds7

About 4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide

4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide (PubChem CID 55340208) has the molecular formula C18H16F2N2O3S2 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
PubChem CID55340208
Molecular FormulaC18H16F2N2O3S2
Molecular Weight410.47 g/mol
Exact Mass410.06
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
SMILESO=C(CCCc1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H16F2N2O3S2/c19-18(20)27(24,25)15-9-4-2-7-13(15)21-16(23)10-5-11-17-22-12-6-1-3-8-14(12)26-17/h1-4,6-9,18H,5,10-11H2,(H,21,23)
InChIKeyVBHWAACSPXSYAG-UHFFFAOYSA-N
XLogP4.25
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55920587
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
CID 26290774
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N-prop-2-enylbenzamide
CID 34743638
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 78810380
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157
4-(1,3-benzothiazol-2-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]butanamide
CID 8896882
4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 51151121
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
CID 40710369

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide (CID 55340208) is 4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide is O=C(CCCc1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide?
The InChIKey is VBHWAACSPXSYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3S2/c19-18(20)27(24,25)15-9-4-2-7-13(15)21-16(23)10-5-11-17-22-12-6-1-3-8-14(12)26-17/h1-4,6-9,18H,5,10-11H2,(H,21,23).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide?
4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide has a molecular weight of 410.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide is sourced from PubChem (CID 55340208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).