4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide

C22H25N3O3S2 — CID 55920587

IUPAC4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCCc1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H25N3O3S2/c26-21(13-8-14-22-24-17-9-2-4-11-19(17)29-22)23-18-10-3-5-12-20(18)30(27,28)25-15-6-1-7-16-25/h2-5,9-12H,1,6-8,13-16H2,(H,23,26)
InChIKeyNWYHPFLHEUQJRE-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.43
Rot. Bonds7

About 4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide

4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 55920587) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID55920587
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCCc1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H25N3O3S2/c26-21(13-8-14-22-24-17-9-2-4-11-19(17)29-22)23-18-10-3-5-12-20(18)30(27,28)25-15-6-1-7-16-25/h2-5,9-12H,1,6-8,13-16H2,(H,23,26)
InChIKeyNWYHPFLHEUQJRE-UHFFFAOYSA-N
XLogP4.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 55340208
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
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
4-(1,3-benzothiazol-2-yl)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 55639678
3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-chlorobenzamide
CID 46823827
3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
CID 52662681
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
N-(2-piperidin-1-ylsulfonylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 60549313
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide (CID 55920587) is 4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide is O=C(CCCc1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is NWYHPFLHEUQJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c26-21(13-8-14-22-24-17-9-2-4-11-19(17)29-22)23-18-10-3-5-12-20(18)30(27,28)25-15-6-1-7-16-25/h2-5,9-12H,1,6-8,13-16H2,(H,23,26).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide?
4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 443.59 g/mol, XLogP of 4.43, 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-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 55920587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).