4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide

C20H26FNO4S — CID 90599293

IUPAC4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide
SMILESCCOc1c(C)cc(S(=O)(=O)NCC(C)(OC)c2ccccc2F)cc1C
InChIInChI=1S/C20H26FNO4S/c1-6-26-19-14(2)11-16(12-15(19)3)27(23,24)22-13-20(4,25-5)17-9-7-8-10-18(17)21/h7-12,22H,6,13H2,1-5H3
InChIKeyQIBSMJOTICFVHD-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.68
Rot. Bonds8

About 4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide

4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 90599293) has the molecular formula C20H26FNO4S and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide
PubChem CID90599293
Molecular FormulaC20H26FNO4S
Molecular Weight395.50 g/mol
Exact Mass395.16
IUPAC Name4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide
SMILESCCOc1c(C)cc(S(=O)(=O)NCC(C)(OC)c2ccccc2F)cc1C
InChIInChI=1S/C20H26FNO4S/c1-6-26-19-14(2)11-16(12-15(19)3)27(23,24)22-13-20(4,25-5)17-9-7-8-10-18(17)21/h7-12,22H,6,13H2,1-5H3
InChIKeyQIBSMJOTICFVHD-UHFFFAOYSA-N
XLogP3.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599225
4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599294
2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide
CID 90599295
2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599250
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71810675
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71810666
5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 97428450
1-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]methanesulfonamide
CID 90599242
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide
CID 90599231
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide
CID 121145658

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide (CID 90599293) is 4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide is CCOc1c(C)cc(S(=O)(=O)NCC(C)(OC)c2ccccc2F)cc1C.
What is the InChIKey of 4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is QIBSMJOTICFVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO4S/c1-6-26-19-14(2)11-16(12-15(19)3)27(23,24)22-13-20(4,25-5)17-9-7-8-10-18(17)21/h7-12,22H,6,13H2,1-5H3.
What are the key properties of 4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide?
4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 395.50 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 90599293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).