N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

C17H26N4O5S2 — CID 16616052

IUPACN-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)CNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H26N4O5S2/c1-12-16(27-17(24)19-12)28(25,26)21-9-7-20(8-10-21)14(22)11-18-15(23)13-5-3-2-4-6-13/h13H,2-11H2,1H3,(H,18,23)(H,19,24)
InChIKeyOGXIUBDRELIEDD-UHFFFAOYSA-N
MW430.55 g/mol
LogP0.27
Rot. Bonds5

About N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 16616052) has the molecular formula C17H26N4O5S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID16616052
Molecular FormulaC17H26N4O5S2
Molecular Weight430.55 g/mol
Exact Mass430.13
IUPAC NameN-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)CNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H26N4O5S2/c1-12-16(27-17(24)19-12)28(25,26)21-9-7-20(8-10-21)14(22)11-18-15(23)13-5-3-2-4-6-13/h13H,2-11H2,1H3,(H,18,23)(H,19,24)
InChIKeyOGXIUBDRELIEDD-UHFFFAOYSA-N
XLogP0.27
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide (CID 16616052) is N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)CNC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is OGXIUBDRELIEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5S2/c1-12-16(27-17(24)19-12)28(25,26)21-9-7-20(8-10-21)14(22)11-18-15(23)13-5-3-2-4-6-13/h13H,2-11H2,1H3,(H,18,23)(H,19,24).
What are the key properties of N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 430.55 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16616052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).