N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

C16H22N2O3S2 — CID 46393013

IUPACN-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2csc(S(=O)(=O)NC3CCCCCCC3)c2)on1
InChIInChI=1S/C16H22N2O3S2/c1-12-9-15(21-17-12)13-10-16(22-11-13)23(19,20)18-14-7-5-3-2-4-6-8-14/h9-11,14,18H,2-8H2,1H3
InChIKeyRLTAXYOHONXDOZ-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.10
Rot. Bonds4

About N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 46393013) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID46393013
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2csc(S(=O)(=O)NC3CCCCCCC3)c2)on1
InChIInChI=1S/C16H22N2O3S2/c1-12-9-15(21-17-12)13-10-16(22-11-13)23(19,20)18-14-7-5-3-2-4-6-8-14/h9-11,14,18H,2-8H2,1H3
InChIKeyRLTAXYOHONXDOZ-UHFFFAOYSA-N
XLogP4.10
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 46393013) is N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is Cc1cc(-c2csc(S(=O)(=O)NC3CCCCCCC3)c2)on1.
What is the InChIKey of N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is RLTAXYOHONXDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-12-9-15(21-17-12)13-10-16(22-11-13)23(19,20)18-14-7-5-3-2-4-6-8-14/h9-11,14,18H,2-8H2,1H3.
What are the key properties of N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 46393013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).