2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide

C26H28ClFN2O7S — CID 43899343

IUPAC2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(OCC(C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C26H28ClFN2O7S/c1-17(16-37-20-8-6-19(34-2)7-9-20)29-26(31)15-30(18-5-11-23(28)22(27)13-18)38(32,33)21-10-12-24(35-3)25(14-21)36-4/h5-14,17H,15-16H2,1-4H3,(H,29,31)
InChIKeyUKRARVWBHOXWIX-UHFFFAOYSA-N
MW567.04 g/mol
LogP4.28
Rot. Bonds12

About 2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide

2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide (PubChem CID 43899343) has the molecular formula C26H28ClFN2O7S and a molecular weight of 567.04 g/mol. Its IUPAC name is 2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
PubChem CID43899343
Molecular FormulaC26H28ClFN2O7S
Molecular Weight567.04 g/mol
Exact Mass566.13
IUPAC Name2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(OCC(C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C26H28ClFN2O7S/c1-17(16-37-20-8-6-19(34-2)7-9-20)29-26(31)15-30(18-5-11-23(28)22(27)13-18)38(32,33)21-10-12-24(35-3)25(14-21)36-4/h5-14,17H,15-16H2,1-4H3,(H,29,31)
InChIKeyUKRARVWBHOXWIX-UHFFFAOYSA-N
XLogP4.28
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.04
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897103
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92647187
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892699
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43902050
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92673919
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43901622
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680076
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897454
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43899535
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43902337
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43916886
N-(2-tert-butylsulfanylethyl)-2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 30266645

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide (CID 43899343) is 2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide is COc1ccc(OCC(C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The InChIKey is UKRARVWBHOXWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN2O7S/c1-17(16-37-20-8-6-19(34-2)7-9-20)29-26(31)15-30(18-5-11-23(28)22(27)13-18)38(32,33)21-10-12-24(35-3)25(14-21)36-4/h5-14,17H,15-16H2,1-4H3,(H,29,31).
What are the key properties of 2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide has a molecular weight of 567.04 g/mol, XLogP of 4.28, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 43899343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).