N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

C14H18N2O3S2 — CID 53079450

IUPACN-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H18N2O3S2/c1-10-14(9-13(20-10)12-7-8-15-19-12)21(17,18)16-11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3
InChIKeyKNUYNZOGWHFUHT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.32
Rot. Bonds4

About N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53079450) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53079450
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H18N2O3S2/c1-10-14(9-13(20-10)12-7-8-15-19-12)21(17,18)16-11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3
InChIKeyKNUYNZOGWHFUHT-UHFFFAOYSA-N
XLogP3.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
CID 53079495
N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 53138840
N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide
CID 46392966
N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094869
methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate
CID 53079541
N-cyclohexyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835214
4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502898
4-(cyclohexylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502872
5-[4-(2,3-dihydroindol-1-ylsulfonyl)-5-methylthiophen-2-yl]-1,2-oxazole
CID 53079465
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057188
N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057186

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53079450) is N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1sc(-c2ccno2)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is KNUYNZOGWHFUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10-14(9-13(20-10)12-7-8-15-19-12)21(17,18)16-11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53079450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).