2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide

C20H25FN2O3S — CID 21380497

IUPAC2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-7-16(2)22-20(24)15-23(14-17-8-5-4-6-9-17)27(25,26)19-12-10-18(21)11-13-19/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H,22,24)
InChIKeyMVDLFUVLMJTVQK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.32
Rot. Bonds9

About 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide (PubChem CID 21380497) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide
PubChem CID21380497
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-7-16(2)22-20(24)15-23(14-17-8-5-4-6-9-17)27(25,26)19-12-10-18(21)11-13-19/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H,22,24)
InChIKeyMVDLFUVLMJTVQK-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126395375
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126393561
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28543966
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401062
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide
CID 126322107
2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 92517180
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 3114020

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide (CID 21380497) is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide?
The InChIKey is MVDLFUVLMJTVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-3-7-16(2)22-20(24)15-23(14-17-8-5-4-6-9-17)27(25,26)19-12-10-18(21)11-13-19/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide?
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide has a molecular weight of 392.50 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 21380497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).