1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C19H23N5O4S2 — CID 53085451

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(OC)cc4s3)CC2)c1
InChIInChI=1S/C19H23N5O4S2/c1-3-23-11-17(20-12-23)30(26,27)24-8-6-13(7-9-24)18(25)22-19-21-15-5-4-14(28-2)10-16(15)29-19/h4-5,10-13H,3,6-9H2,1-2H3,(H,21,22,25)
InChIKeyIPVGUIYWWZVOOJ-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.56
Rot. Bonds6

About 1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 53085451) has the molecular formula C19H23N5O4S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID53085451
Molecular FormulaC19H23N5O4S2
Molecular Weight449.56 g/mol
Exact Mass449.12
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(OC)cc4s3)CC2)c1
InChIInChI=1S/C19H23N5O4S2/c1-3-23-11-17(20-12-23)30(26,27)24-8-6-13(7-9-24)18(25)22-19-21-15-5-4-14(28-2)10-16(15)29-19/h4-5,10-13H,3,6-9H2,1-2H3,(H,21,22,25)
InChIKeyIPVGUIYWWZVOOJ-UHFFFAOYSA-N
XLogP2.56
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 53085451) is 1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(OC)cc4s3)CC2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is IPVGUIYWWZVOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S2/c1-3-23-11-17(20-12-23)30(26,27)24-8-6-13(7-9-24)18(25)22-19-21-15-5-4-14(28-2)10-16(15)29-19/h4-5,10-13H,3,6-9H2,1-2H3,(H,21,22,25).
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53085451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).