N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide

C20H25FN2O5S — CID 9418922

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1OCC
InChIInChI=1S/C20H25FN2O5S/c1-4-27-18-11-6-15(12-19(18)28-5-2)14(3)23-20(24)13-22-29(25,26)17-9-7-16(21)8-10-17/h6-12,14,22H,4-5,13H2,1-3H3,(H,23,24)/t14-/m0/s1
InChIKeySYOXBSPOJAJXFG-AWEZNQCLSA-N
MW424.49 g/mol
LogP2.78
Rot. Bonds10

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 9418922) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID9418922
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1OCC
InChIInChI=1S/C20H25FN2O5S/c1-4-27-18-11-6-15(12-19(18)28-5-2)14(3)23-20(24)13-22-29(25,26)17-9-7-16(21)8-10-17/h6-12,14,22H,4-5,13H2,1-3H3,(H,23,24)/t14-/m0/s1
InChIKeySYOXBSPOJAJXFG-AWEZNQCLSA-N
XLogP2.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 9437325
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55347369
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide (CID 9418922) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide is CCOc1ccc([C@H](C)NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is SYOXBSPOJAJXFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-4-27-18-11-6-15(12-19(18)28-5-2)14(3)23-20(24)13-22-29(25,26)17-9-7-16(21)8-10-17/h6-12,14,22H,4-5,13H2,1-3H3,(H,23,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 424.49 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 9418922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).