N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide

C19H20F3N3O4S — CID 56548673

IUPACN-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide
SMILESCC(NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H20F3N3O4S/c1-13(18(27)23-11-14-6-3-2-4-7-14)25-17(26)12-24-30(28,29)16-9-5-8-15(10-16)19(20,21)22/h2-10,13,24H,11-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyKKDGHYARHRVDAJ-UHFFFAOYSA-N
MW443.45 g/mol
LogP1.80
Rot. Bonds8

About N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide

N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide (PubChem CID 56548673) has the molecular formula C19H20F3N3O4S and a molecular weight of 443.45 g/mol. Its IUPAC name is N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide
PubChem CID56548673
Molecular FormulaC19H20F3N3O4S
Molecular Weight443.45 g/mol
Exact Mass443.11
IUPAC NameN-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide
SMILESCC(NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H20F3N3O4S/c1-13(18(27)23-11-14-6-3-2-4-7-14)25-17(26)12-24-30(28,29)16-9-5-8-15(10-16)19(20,21)22/h2-10,13,24H,11-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyKKDGHYARHRVDAJ-UHFFFAOYSA-N
XLogP1.80
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119169773
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548477
N-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 38254434
N-[(3-ethoxyphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548712
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783
N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548767
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55414677
N-benzyl-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2548502

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide?
The IUPAC name of N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide (CID 56548673) is N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide.
What is the SMILES notation for N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide?
The canonical SMILES for N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide is CC(NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide?
The InChIKey is KKDGHYARHRVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4S/c1-13(18(27)23-11-14-6-3-2-4-7-14)25-17(26)12-24-30(28,29)16-9-5-8-15(10-16)19(20,21)22/h2-10,13,24H,11-12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide?
N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide has a molecular weight of 443.45 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide is sourced from PubChem (CID 56548673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).