2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide

C20H25N3O3S2 — CID 55507349

IUPAC2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O3S2/c24-19(22-20-21-16-10-3-1-4-11-17(16)27-20)15-9-5-6-12-18(15)28(25,26)23-13-7-2-8-14-23/h5-6,9,12H,1-4,7-8,10-11,13-14H2,(H,21,22,24)
InChIKeyMPOFEVOYEJPWDC-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.84
Rot. Bonds4

About 2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide

2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide (PubChem CID 55507349) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
PubChem CID55507349
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O3S2/c24-19(22-20-21-16-10-3-1-4-11-17(16)27-20)15-9-5-6-12-18(15)28(25,26)23-13-7-2-8-14-23/h5-6,9,12H,1-4,7-8,10-11,13-14H2,(H,21,22,24)
InChIKeyMPOFEVOYEJPWDC-UHFFFAOYSA-N
XLogP3.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide (CID 55507349) is 2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide is O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The InChIKey is MPOFEVOYEJPWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c24-19(22-20-21-16-10-3-1-4-11-17(16)27-20)15-9-5-6-12-18(15)28(25,26)23-13-7-2-8-14-23/h5-6,9,12H,1-4,7-8,10-11,13-14H2,(H,21,22,24).
What are the key properties of 2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide has a molecular weight of 419.57 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 55507349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).