N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide

C18H27F2N3O4S — CID 18289830

IUPACN-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide
SMILESCCCCNC(=O)CN(CC(=O)NCCCC)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H27F2N3O4S/c1-3-5-9-21-17(24)12-23(13-18(25)22-10-6-4-2)28(26,27)16-11-14(19)7-8-15(16)20/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVTNYLVDDRSSYLU-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.79
Rot. Bonds12

About N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide

N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide (PubChem CID 18289830) has the molecular formula C18H27F2N3O4S and a molecular weight of 419.49 g/mol. Its IUPAC name is N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide
PubChem CID18289830
Molecular FormulaC18H27F2N3O4S
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC NameN-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide
SMILESCCCCNC(=O)CN(CC(=O)NCCCC)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H27F2N3O4S/c1-3-5-9-21-17(24)12-23(13-18(25)22-10-6-4-2)28(26,27)16-11-14(19)7-8-15(16)20/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVTNYLVDDRSSYLU-UHFFFAOYSA-N
XLogP1.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 4233254
N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 39633113
N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26630104
2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 40746083
ethyl 2-[(2,5-difluorophenyl)sulfonyl-propylamino]acetate
CID 61008684
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 60627428
N-butyl-3-(2,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113146327
N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide
CID 60607549
N-butyl-2-(2-fluorophenyl)sulfonylacetamide
CID 47148223
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
CID 45372451

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide (CID 18289830) is N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide is CCCCNC(=O)CN(CC(=O)NCCCC)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide?
The InChIKey is VTNYLVDDRSSYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O4S/c1-3-5-9-21-17(24)12-23(13-18(25)22-10-6-4-2)28(26,27)16-11-14(19)7-8-15(16)20/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide?
N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide has a molecular weight of 419.49 g/mol, XLogP of 1.79, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 18289830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).