N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H25FN2O4S — CID 30306995

IUPACN-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1cccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H25FN2O4S/c1-3-31-20-8-6-7-19(15-20)16-26-24(28)17-27(23-10-5-4-9-22(23)25)32(29,30)21-13-11-18(2)12-14-21/h4-15H,3,16-17H2,1-2H3,(H,26,28)
InChIKeyDEKIJGSURHNAKX-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.04
Rot. Bonds9

About N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30306995) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID30306995
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1cccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H25FN2O4S/c1-3-31-20-8-6-7-19(15-20)16-26-24(28)17-27(23-10-5-4-9-22(23)25)32(29,30)21-13-11-18(2)12-14-21/h4-15H,3,16-17H2,1-2H3,(H,26,28)
InChIKeyDEKIJGSURHNAKX-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306359
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306762
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30214829
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307001
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100764195
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30307385
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
N-[(3-butoxyphenyl)methyl]-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 71022482
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272961
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280258
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 99950546

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 30306995) is N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is CCOc1cccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is DEKIJGSURHNAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-3-31-20-8-6-7-19(15-20)16-26-24(28)17-27(23-10-5-4-9-22(23)25)32(29,30)21-13-11-18(2)12-14-21/h4-15H,3,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 456.54 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30306995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).