5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

C20H20N2O3S2 — CID 53102929

IUPAC5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCc2ccccc21)c1ccc(-c2cnc(C3CC3)o2)s1
InChIInChI=1S/C20H20N2O3S2/c23-27(24,22-16-7-3-5-13-4-1-2-6-15(13)16)19-11-10-18(26-19)17-12-21-20(25-17)14-8-9-14/h1-2,4,6,10-12,14,16,22H,3,5,7-9H2
InChIKeySONOTZQCNJNJMS-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.64
Rot. Bonds5

About 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide (PubChem CID 53102929) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
PubChem CID53102929
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCc2ccccc21)c1ccc(-c2cnc(C3CC3)o2)s1
InChIInChI=1S/C20H20N2O3S2/c23-27(24,22-16-7-3-5-13-4-1-2-6-15(13)16)19-11-10-18(26-19)17-12-21-20(25-17)14-8-9-14/h1-2,4,6,10-12,14,16,22H,3,5,7-9H2
InChIKeySONOTZQCNJNJMS-UHFFFAOYSA-N
XLogP4.64
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
CID 95068298
5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 20923057
2-cyclopentyl-5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-1,3-oxazole
CID 20971715
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102953
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
CID 53102984
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53103014
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-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53103065
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
4-[5-(2-cyclopropyl-1,3-oxazol-5-yl)thiophen-2-yl]sulfonylmorpholine
CID 53102949
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53103050
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
CID 53103004

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide (CID 53102929) is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide is O=S(=O)(NC1CCCc2ccccc21)c1ccc(-c2cnc(C3CC3)o2)s1.
What is the InChIKey of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The InChIKey is SONOTZQCNJNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c23-27(24,22-16-7-3-5-13-4-1-2-6-15(13)16)19-11-10-18(26-19)17-12-21-20(25-17)14-8-9-14/h1-2,4,6,10-12,14,16,22H,3,5,7-9H2.
What are the key properties of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide has a molecular weight of 400.53 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53102929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).