4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide

C24H30N6O3S — CID 67491980

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide
SMILESCCc1cc(-c2noc(C3CC3)n2)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](n2cnnc2C2CC2)C1
InChIInChI=1S/C24H30N6O3S/c1-2-15-12-18(22-26-24(33-28-22)17-8-9-17)10-11-21(15)34(31,32)29-19-4-3-5-20(13-19)30-14-25-27-23(30)16-6-7-16/h10-12,14,16-17,19-20,29H,2-9,13H2,1H3/t19-,20+/m0/s1
InChIKeyQONYKAMMSWKABF-VQTJNVASSA-N
MW482.61 g/mol
LogP4.11
Rot. Bonds8

About 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide (PubChem CID 67491980) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide
PubChem CID67491980
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide
SMILESCCc1cc(-c2noc(C3CC3)n2)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](n2cnnc2C2CC2)C1
InChIInChI=1S/C24H30N6O3S/c1-2-15-12-18(22-26-24(33-28-22)17-8-9-17)10-11-21(15)34(31,32)29-19-4-3-5-20(13-19)30-14-25-27-23(30)16-6-7-16/h10-12,14,16-17,19-20,29H,2-9,13H2,1H3/t19-,20+/m0/s1
InChIKeyQONYKAMMSWKABF-VQTJNVASSA-N
XLogP4.11
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77165091
2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77301857
2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77164618
2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide
CID 123900257
2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 67491184
N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365758
2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzenesulfonamide
CID 66895635
4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 67491038
2-ethyl-4-(4-methylpyrazol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 67491155
2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 123490305
2-fluoro-N-[(1S,3R)-3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 67491050
(2R)-N-cycloheptyl-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 92880619

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide (CID 67491980) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide is CCc1cc(-c2noc(C3CC3)n2)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](n2cnnc2C2CC2)C1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide?
The InChIKey is QONYKAMMSWKABF-VQTJNVASSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-2-15-12-18(22-26-24(33-28-22)17-8-9-17)10-11-21(15)34(31,32)29-19-4-3-5-20(13-19)30-14-25-27-23(30)16-6-7-16/h10-12,14,16-17,19-20,29H,2-9,13H2,1H3/t19-,20+/m0/s1.
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide has a molecular weight of 482.61 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide is sourced from PubChem (CID 67491980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).