2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide

C19H23FN2O3S — CID 2174588

IUPAC2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23FN2O3S/c1-19(2,3)21-18(23)14-22(13-15-9-11-16(20)12-10-15)26(24,25)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,21,23)
InChIKeyLBCHFKUTFQNHEJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.93
Rot. Bonds6

About 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide

2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide (PubChem CID 2174588) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide
PubChem CID2174588
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23FN2O3S/c1-19(2,3)21-18(23)14-22(13-15-9-11-16(20)12-10-15)26(24,25)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,21,23)
InChIKeyLBCHFKUTFQNHEJ-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 134127150
2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide
CID 24550332
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793153
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126058112
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 21380497
N-[(4-fluorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 126072480

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide (CID 2174588) is 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide?
The InChIKey is LBCHFKUTFQNHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-19(2,3)21-18(23)14-22(13-15-9-11-16(20)12-10-15)26(24,25)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,21,23).
What are the key properties of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide?
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide has a molecular weight of 378.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 2174588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).