N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

C22H29FN2O4S — CID 53280195

IUPACN-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H29FN2O4S/c1-15(2)22(16(3)4)24-21(26)14-25(18-8-6-17(23)7-9-18)30(27,28)20-12-10-19(29-5)11-13-20/h6-13,15-16,22H,14H2,1-5H3,(H,24,26)
InChIKeyMREWBSYPKXFBKB-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.83
Rot. Bonds9

About N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 53280195) has the molecular formula C22H29FN2O4S and a molecular weight of 436.55 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID53280195
Molecular FormulaC22H29FN2O4S
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC NameN-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H29FN2O4S/c1-15(2)22(16(3)4)24-21(26)14-25(18-8-6-17(23)7-9-18)30(27,28)20-12-10-19(29-5)11-13-20/h6-13,15-16,22H,14H2,1-5H3,(H,24,26)
InChIKeyMREWBSYPKXFBKB-UHFFFAOYSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylpentan-3-yl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 51344897
2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126346344
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide
CID 126415763
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680076
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94020310
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46773052
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide
CID 126346209
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 53280196
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43898808

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 53280195) is N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is MREWBSYPKXFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O4S/c1-15(2)22(16(3)4)24-21(26)14-25(18-8-6-17(23)7-9-18)30(27,28)20-12-10-19(29-5)11-13-20/h6-13,15-16,22H,14H2,1-5H3,(H,24,26).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 436.55 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 53280195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).