N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide

C18H21FN2O3S — CID 110499244

IUPACN-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H21FN2O3S/c1-4-17(18(22)20-15-10-12(2)9-13(3)11-15)21-25(23,24)16-7-5-14(19)6-8-16/h5-11,17,21H,4H2,1-3H3,(H,20,22)
InChIKeyRJMJMSXFGQFJCK-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.14
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide

N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide (PubChem CID 110499244) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
PubChem CID110499244
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H21FN2O3S/c1-4-17(18(22)20-15-10-12(2)9-13(3)11-15)21-25(23,24)16-7-5-14(19)6-8-16/h5-11,17,21H,4H2,1-3H3,(H,20,22)
InChIKeyRJMJMSXFGQFJCK-UHFFFAOYSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide
CID 110499336
N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499179
2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 110502529
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499174
methyl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499298
2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide
CID 50740483
N-[4-(diethylamino)-2-methylphenyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499213
propan-2-yl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499299
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
N-(8-ethyl-9H-carbazol-2-yl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499212

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide (CID 110499244) is N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The InChIKey is RJMJMSXFGQFJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-4-17(18(22)20-15-10-12(2)9-13(3)11-15)21-25(23,24)16-7-5-14(19)6-8-16/h5-11,17,21H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide has a molecular weight of 364.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 110499244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).