(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide

C22H27FN4O5S — CID 55943462

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H27FN4O5S/c1-4-27(14-21(29)24-13-17-5-7-18(23)8-6-17)22(30)15(2)26-33(31,32)20-11-9-19(10-12-20)25-16(3)28/h5-12,15,26H,4,13-14H2,1-3H3,(H,24,29)(H,25,28)/t15-/m0/s1
InChIKeyCLWSMMDCRCECJJ-HNNXBMFYSA-N
MW478.55 g/mol
LogP1.62
Rot. Bonds10

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide (PubChem CID 55943462) has the molecular formula C22H27FN4O5S and a molecular weight of 478.55 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
PubChem CID55943462
Molecular FormulaC22H27FN4O5S
Molecular Weight478.55 g/mol
Exact Mass478.17
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H27FN4O5S/c1-4-27(14-21(29)24-13-17-5-7-18(23)8-6-17)22(30)15(2)26-33(31,32)20-11-9-19(10-12-20)25-16(3)28/h5-12,15,26H,4,13-14H2,1-3H3,(H,24,29)(H,25,28)/t15-/m0/s1
InChIKeyCLWSMMDCRCECJJ-HNNXBMFYSA-N
XLogP1.62
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide with MolForge

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Related Compounds

(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide
CID 55344100
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119291044
N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide
CID 20931904
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 112769362
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pentanamide;hydrochloride
CID 119266596
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
N-[(2R)-1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 95246746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide (CID 55943462) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide?
The InChIKey is CLWSMMDCRCECJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H27FN4O5S/c1-4-27(14-21(29)24-13-17-5-7-18(23)8-6-17)22(30)15(2)26-33(31,32)20-11-9-19(10-12-20)25-16(3)28/h5-12,15,26H,4,13-14H2,1-3H3,(H,24,29)(H,25,28)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide has a molecular weight of 478.55 g/mol, XLogP of 1.62, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 55943462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).