3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

C17H22N2O3S2 — CID 1222303

IUPAC3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)CCC3CCCCC3)sc2c1
InChIInChI=1S/C17H22N2O3S2/c1-24(21,22)13-8-9-14-15(11-13)23-17(18-14)19-16(20)10-7-12-5-3-2-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H,18,19,20)
InChIKeyPBPYYCYUWIUOAZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.00
Rot. Bonds5

About 3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 1222303) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID1222303
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Name3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)CCC3CCCCC3)sc2c1
InChIInChI=1S/C17H22N2O3S2/c1-24(21,22)13-8-9-14-15(11-13)23-17(18-14)19-16(20)10-7-12-5-3-2-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H,18,19,20)
InChIKeyPBPYYCYUWIUOAZ-UHFFFAOYSA-N
XLogP4.00
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide
CID 5176965
3-cyclohexyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 4129775
2-(azepan-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 650783
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
CID 4674921
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2349260
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 7222707
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16620827
4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 18585976
2-(4-methylpiperidin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide;oxalic acid
CID 171668780
2-(4-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2059533
(2S)-1-methylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 27452375
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 51861771

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide (CID 1222303) is 3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide is CS(=O)(=O)c1ccc2nc(NC(=O)CCC3CCCCC3)sc2c1.
What is the InChIKey of 3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is PBPYYCYUWIUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-24(21,22)13-8-9-14-15(11-13)23-17(18-14)19-16(20)10-7-12-5-3-2-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H,18,19,20).
What are the key properties of 3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide?
3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 1222303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).