N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C23H21N3O3S2 — CID 90563966

IUPACN-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H21N3O3S2/c27-31(28,19-12-11-16-6-1-2-7-17(16)14-19)26-20-9-4-3-8-18(20)15-22-24-23(25-29-22)21-10-5-13-30-21/h3-5,8-14,26H,1-2,6-7,15H2
InChIKeyMAYAUPKHNWPNFT-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.07
Rot. Bonds6

About N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 90563966) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID90563966
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC NameN-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H21N3O3S2/c27-31(28,19-12-11-16-6-1-2-7-17(16)14-19)26-20-9-4-3-8-18(20)15-22-24-23(25-29-22)21-10-5-13-30-21/h3-5,8-14,26H,1-2,6-7,15H2
InChIKeyMAYAUPKHNWPNFT-UHFFFAOYSA-N
XLogP5.07
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 90563998
3-methoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563945
3-fluoro-4-methoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563985
5-chloro-2-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563949
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332736
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 90563140
1-phenyl-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563863
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanesulfonamide
CID 90564004
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110293472
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563659
2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800647
2-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dihydroindole-5-sulfonamide
CID 110293482

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 90563966) is N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is MAYAUPKHNWPNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c27-31(28,19-12-11-16-6-1-2-7-17(16)14-19)26-20-9-4-3-8-18(20)15-22-24-23(25-29-22)21-10-5-13-30-21/h3-5,8-14,26H,1-2,6-7,15H2.
What are the key properties of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 451.57 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 90563966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).