2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide

C17H27FN2O3S — CID 55602011

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide
SMILESCCCCCN(C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H27FN2O3S/c1-5-6-7-12-20(14(2)3)17(21)13-19(4)24(22,23)16-10-8-15(18)9-11-16/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyBBJPRGMCFKSWMD-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.87
Rot. Bonds9

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide (PubChem CID 55602011) has the molecular formula C17H27FN2O3S and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide
PubChem CID55602011
Molecular FormulaC17H27FN2O3S
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide
SMILESCCCCCN(C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H27FN2O3S/c1-5-6-7-12-20(14(2)3)17(21)13-19(4)24(22,23)16-10-8-15(18)9-11-16/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyBBJPRGMCFKSWMD-UHFFFAOYSA-N
XLogP2.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-butan-2-yl-N-butylacetamide
CID 60555512
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
2-[butan-2-yl-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]amino]acetic acid
CID 119954928
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide
CID 17434301
2-[(4-fluorophenyl)methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylbutanamide
CID 132944376
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132677564
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
N-cyclohexyl-N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55327533
(2R)-N-[(2S)-butan-2-yl]-2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574220
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 8635365
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 46588668

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide (CID 55602011) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide is CCCCCN(C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)C(C)C.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide?
The InChIKey is BBJPRGMCFKSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O3S/c1-5-6-7-12-20(14(2)3)17(21)13-19(4)24(22,23)16-10-8-15(18)9-11-16/h8-11,14H,5-7,12-13H2,1-4H3.
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide has a molecular weight of 358.48 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide is sourced from PubChem (CID 55602011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).