5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide

C20H22N2O3S2 — CID 53103094

IUPAC5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1
InChIInChI=1S/C20H22N2O3S2/c1-13-6-5-7-14(2)19(13)22-27(23,24)18-11-10-17(26-18)16-12-21-20(25-16)15-8-3-4-9-15/h5-7,10-12,15,22H,3-4,8-9H2,1-2H3
InChIKeyQCAUMDZILOBVEI-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.48
Rot. Bonds5

About 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide

5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide (PubChem CID 53103094) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
PubChem CID53103094
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC Name5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1
InChIInChI=1S/C20H22N2O3S2/c1-13-6-5-7-14(2)19(13)22-27(23,24)18-11-10-17(26-18)16-12-21-20(25-16)15-8-3-4-9-15/h5-7,10-12,15,22H,3-4,8-9H2,1-2H3
InChIKeyQCAUMDZILOBVEI-UHFFFAOYSA-N
XLogP5.48
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53103093
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53103014
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
CID 53102984
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102953
N-benzyl-5-(2-cyclopentyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 53103169
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
CID 53103004
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide
CID 53103047
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102955
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-ethoxyphenyl)thiophene-2-sulfonamide
CID 53102898
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53103050
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
CID 53103180
2-cyclopentyl-5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-1,3-oxazole
CID 20971715

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide (CID 53103094) is 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1.
What is the InChIKey of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is QCAUMDZILOBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-13-6-5-7-14(2)19(13)22-27(23,24)18-11-10-17(26-18)16-12-21-20(25-16)15-8-3-4-9-15/h5-7,10-12,15,22H,3-4,8-9H2,1-2H3.
What are the key properties of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide?
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 402.54 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53103094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).