N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide

C25H24FN3O5S — CID 19259607

IUPACN-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCN(CC(=O)c1ccc(OCc2ccccc2)c(F)c1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C25H24FN3O5S/c1-27(35(32,33)19-10-11-21-22(14-19)29(3)25(31)28(21)2)15-23(30)18-9-12-24(20(26)13-18)34-16-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3
InChIKeyJWFCPQQUWXYOKR-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.10
Rot. Bonds8

About N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide

N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 19259607) has the molecular formula C25H24FN3O5S and a molecular weight of 497.55 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID19259607
Molecular FormulaC25H24FN3O5S
Molecular Weight497.55 g/mol
Exact Mass497.14
IUPAC NameN-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCN(CC(=O)c1ccc(OCc2ccccc2)c(F)c1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C25H24FN3O5S/c1-27(35(32,33)19-10-11-21-22(14-19)29(3)25(31)28(21)2)15-23(30)18-9-12-24(20(26)13-18)34-16-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3
InChIKeyJWFCPQQUWXYOKR-UHFFFAOYSA-N
XLogP3.10
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide with MolForge

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Related Compounds

N-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259612
N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259603
N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259616
N-ethyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259620
2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide
CID 20876066
N-(3-aminopropyl)-N-benzyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 120664430
ethyl 2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 117486957
N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259468
benzyl N-[2-[3,4-bis(phenylmethoxy)phenyl]-2-oxoethyl]-N-methylcarbamate
CID 146186944
4-chloro-N-methyl-N-phenacylbenzenesulfonamide
CID 58597544
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 8606228
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide (CID 19259607) is N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide is CN(CC(=O)c1ccc(OCc2ccccc2)c(F)c1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is JWFCPQQUWXYOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O5S/c1-27(35(32,33)19-10-11-21-22(14-19)29(3)25(31)28(21)2)15-23(30)18-9-12-24(20(26)13-18)34-16-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3.
What are the key properties of N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 497.55 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 19259607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).