N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide

C20H25FN2O5S — CID 43895870

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCCC(NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25FN2O5S/c1-5-17(14-6-11-18(27-2)19(12-14)28-3)22-20(24)13-23(29(4,25)26)16-9-7-15(21)8-10-16/h6-12,17H,5,13H2,1-4H3,(H,22,24)
InChIKeyFALIXXTUGUFGDN-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.88
Rot. Bonds9

About N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide

N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 43895870) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID43895870
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCCC(NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25FN2O5S/c1-5-17(14-6-11-18(27-2)19(12-14)28-3)22-20(24)13-23(29(4,25)26)16-9-7-15(21)8-10-16/h6-12,17H,5,13H2,1-4H3,(H,22,24)
InChIKeyFALIXXTUGUFGDN-UHFFFAOYSA-N
XLogP2.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 93487781
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92679208
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 100615499
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92673156
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92680773
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303449
N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 2271520
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 99959520
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43915286
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30244083
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CID 43895870) is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide is CCC(NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is FALIXXTUGUFGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-5-17(14-6-11-18(27-2)19(12-14)28-3)22-20(24)13-23(29(4,25)26)16-9-7-15(21)8-10-16/h6-12,17H,5,13H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 424.49 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 43895870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).