2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide

C22H28FN3O4S2 — CID 55344100

IUPAC2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(CCSC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H28FN3O4S2/c1-3-26(16-21(27)24-15-17-9-11-18(23)12-10-17)22(28)20(13-14-31-2)25-32(29,30)19-7-5-4-6-8-19/h4-12,20,25H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyKCUHMZLDKDUJFC-UHFFFAOYSA-N
MW481.62 g/mol
LogP2.39
Rot. Bonds12

About 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide

2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide (PubChem CID 55344100) has the molecular formula C22H28FN3O4S2 and a molecular weight of 481.62 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide
PubChem CID55344100
Molecular FormulaC22H28FN3O4S2
Molecular Weight481.62 g/mol
Exact Mass481.15
IUPAC Name2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(CCSC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H28FN3O4S2/c1-3-26(16-21(27)24-15-17-9-11-18(23)12-10-17)22(28)20(13-14-31-2)25-32(29,30)19-7-5-4-6-8-19/h4-12,20,25H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyKCUHMZLDKDUJFC-UHFFFAOYSA-N
XLogP2.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide with MolForge

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Related Compounds

2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide
CID 51149693
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 55943462
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pentanamide;hydrochloride
CID 119266596
N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 4881698
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119291044
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
CID 9412291
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide (CID 55344100) is 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(CCSC)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide?
The InChIKey is KCUHMZLDKDUJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4S2/c1-3-26(16-21(27)24-15-17-9-11-18(23)12-10-17)22(28)20(13-14-31-2)25-32(29,30)19-7-5-4-6-8-19/h4-12,20,25H,3,13-16H2,1-2H3,(H,24,27).
What are the key properties of 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide?
2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide has a molecular weight of 481.62 g/mol, XLogP of 2.39, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 55344100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).