N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide

C20H25FN2O3S — CID 110499174

IUPACN-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCCCc1ccc(NC(=O)C(CC)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-5-6-15-7-11-17(12-8-15)22-20(24)19(4-2)23-27(25,26)18-13-9-16(21)10-14-18/h7-14,19,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyOCENCPSNEWRLQY-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.86
Rot. Bonds9

About N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide

N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide (PubChem CID 110499174) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
PubChem CID110499174
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCCCc1ccc(NC(=O)C(CC)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-5-6-15-7-11-17(12-8-15)22-20(24)19(4-2)23-27(25,26)18-13-9-16(21)10-14-18/h7-14,19,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyOCENCPSNEWRLQY-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2954412
2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide
CID 110496326
2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]hexanoic acid
CID 110496366
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide
CID 110499336
2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide
CID 110497943
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
methyl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499298
N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 24537921

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The IUPAC name of N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide (CID 110499174) is N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide is CCCCc1ccc(NC(=O)C(CC)NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The InChIKey is OCENCPSNEWRLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-3-5-6-15-7-11-17(12-8-15)22-20(24)19(4-2)23-27(25,26)18-13-9-16(21)10-14-18/h7-14,19,23H,3-6H2,1-2H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide has a molecular weight of 392.50 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 110499174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).