N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

C15H22FN3O4S — CID 48503596

IUPACN-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCCN(CC)C(=O)CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O4S/c1-3-19(4-2)15(21)11-17-14(20)9-10-18-24(22,23)13-7-5-12(16)6-8-13/h5-8,18H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyXJFZVIGXOOWKGG-UHFFFAOYSA-N
MW359.42 g/mol
LogP0.48
Rot. Bonds9

About N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 48503596) has the molecular formula C15H22FN3O4S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID48503596
Molecular FormulaC15H22FN3O4S
Molecular Weight359.42 g/mol
Exact Mass359.13
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCCN(CC)C(=O)CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O4S/c1-3-19(4-2)15(21)11-17-14(20)9-10-18-24(22,23)13-7-5-12(16)6-8-13/h5-8,18H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyXJFZVIGXOOWKGG-UHFFFAOYSA-N
XLogP0.48
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
3-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480766
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480885
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55949346
3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 17192279
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 48503596) is N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is CCN(CC)C(=O)CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is XJFZVIGXOOWKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4S/c1-3-19(4-2)15(21)11-17-14(20)9-10-18-24(22,23)13-7-5-12(16)6-8-13/h5-8,18H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 359.42 g/mol, XLogP of 0.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 48503596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).