N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide

C17H22N4O3S2 — CID 1181033

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)s1
InChIInChI=1S/C17H22N4O3S2/c1-2-15-19-20-17(25-15)21-26(23,24)14-10-8-13(9-11-14)18-16(22)12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H,18,22)(H,20,21)
InChIKeyIMZIKXHQNPRFLZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide (PubChem CID 1181033) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide
PubChem CID1181033
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)s1
InChIInChI=1S/C17H22N4O3S2/c1-2-15-19-20-17(25-15)21-26(23,24)14-10-8-13(9-11-14)18-16(22)12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H,18,22)(H,20,21)
InChIKeyIMZIKXHQNPRFLZ-UHFFFAOYSA-N
XLogP3.42
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide (CID 1181033) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide?
The InChIKey is IMZIKXHQNPRFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-2-15-19-20-17(25-15)21-26(23,24)14-10-8-13(9-11-14)18-16(22)12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 1181033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).