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

C17H24N2O3S2 — CID 53057186

IUPACN-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2c(C)sc(C)c2S(=O)(=O)NC2CCCCCC2)on1
InChIInChI=1S/C17H24N2O3S2/c1-11-10-15(22-18-11)16-12(2)23-13(3)17(16)24(20,21)19-14-8-6-4-5-7-9-14/h10,14,19H,4-9H2,1-3H3
InChIKeyFFINVLLZXCHWFB-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.33
Rot. Bonds4

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

N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53057186) has the molecular formula C17H24N2O3S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53057186
Molecular FormulaC17H24N2O3S2
Molecular Weight368.52 g/mol
Exact Mass368.12
IUPAC NameN-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2c(C)sc(C)c2S(=O)(=O)NC2CCCCCC2)on1
InChIInChI=1S/C17H24N2O3S2/c1-11-10-15(22-18-11)16-12(2)23-13(3)17(16)24(20,21)19-14-8-6-4-5-7-9-14/h10,14,19H,4-9H2,1-3H3
InChIKeyFFINVLLZXCHWFB-UHFFFAOYSA-N
XLogP4.33
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53057186) is N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)NC2CCCCCC2)on1.
What is the InChIKey of N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is FFINVLLZXCHWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S2/c1-11-10-15(22-18-11)16-12(2)23-13(3)17(16)24(20,21)19-14-8-6-4-5-7-9-14/h10,14,19H,4-9H2,1-3H3.
What are the key properties of N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 368.52 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).