N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C20H23N3O6S2 — CID 21007749

IUPACN-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)c2c(C)noc2C)c2cccnc2)cc1
InChIInChI=1S/C20H23N3O6S2/c1-4-28-17-7-9-18(10-8-17)30(24,25)19(16-6-5-11-21-12-16)13-22-31(26,27)20-14(2)23-29-15(20)3/h5-12,19,22H,4,13H2,1-3H3
InChIKeyCYNYLNGKARAGEE-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.58
Rot. Bonds9

About N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 21007749) has the molecular formula C20H23N3O6S2 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID21007749
Molecular FormulaC20H23N3O6S2
Molecular Weight465.55 g/mol
Exact Mass465.10
IUPAC NameN-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)c2c(C)noc2C)c2cccnc2)cc1
InChIInChI=1S/C20H23N3O6S2/c1-4-28-17-7-9-18(10-8-17)30(24,25)19(16-6-5-11-21-12-16)13-22-31(26,27)20-14(2)23-29-15(20)3/h5-12,19,22H,4,13H2,1-3H3
InChIKeyCYNYLNGKARAGEE-UHFFFAOYSA-N
XLogP2.58
TPSA128.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 21007728
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
CID 21007747
4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007693
4-chloro-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007712
3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 110361048
3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
CID 112506429
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
1-cyclohexyl-3-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]urea
CID 21007706
2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40904177
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156583
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 21007749) is N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)c2c(C)noc2C)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is CYNYLNGKARAGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S2/c1-4-28-17-7-9-18(10-8-17)30(24,25)19(16-6-5-11-21-12-16)13-22-31(26,27)20-14(2)23-29-15(20)3/h5-12,19,22H,4,13H2,1-3H3.
What are the key properties of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 465.55 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 21007749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).