N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide

C22H28ClN3O4S2 — CID 121452630

IUPACN-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(S(=O)(=O)NC2CCCC(O)C2)c1
InChIInChI=1S/C22H28ClN3O4S2/c1-13-20(31-22(24-13)25-21(28)14-5-2-3-6-14)15-9-10-18(23)19(11-15)32(29,30)26-16-7-4-8-17(27)12-16/h9-11,14,16-17,26-27H,2-8,12H2,1H3,(H,24,25,28)
InChIKeyFBPQLZNOYXWUDL-UHFFFAOYSA-N
MW498.07 g/mol
LogP4.48
Rot. Bonds6

About N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide

N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 121452630) has the molecular formula C22H28ClN3O4S2 and a molecular weight of 498.07 g/mol. Its IUPAC name is N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID121452630
Molecular FormulaC22H28ClN3O4S2
Molecular Weight498.07 g/mol
Exact Mass497.12
IUPAC NameN-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(S(=O)(=O)NC2CCCC(O)C2)c1
InChIInChI=1S/C22H28ClN3O4S2/c1-13-20(31-22(24-13)25-21(28)14-5-2-3-6-14)15-9-10-18(23)19(11-15)32(29,30)26-16-7-4-8-17(27)12-16/h9-11,14,16-17,26-27H,2-8,12H2,1H3,(H,24,25,28)
InChIKeyFBPQLZNOYXWUDL-UHFFFAOYSA-N
XLogP4.48
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.07
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 121452630) is N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide is Cc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(S(=O)(=O)NC2CCCC(O)C2)c1.
What is the InChIKey of N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is FBPQLZNOYXWUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4S2/c1-13-20(31-22(24-13)25-21(28)14-5-2-3-6-14)15-9-10-18(23)19(11-15)32(29,30)26-16-7-4-8-17(27)12-16/h9-11,14,16-17,26-27H,2-8,12H2,1H3,(H,24,25,28).
What are the key properties of N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 498.07 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-chloro-3-[(3-hydroxycyclohexyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 121452630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).