N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C20H24F3N3O3S2 — CID 55364648

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H24F3N3O3S2/c1-4-26(5-2)31(28,29)17-9-6-15(7-10-17)14(3)25-18(27)13-30-19-11-8-16(12-24-19)20(21,22)23/h6-12,14H,4-5,13H2,1-3H3,(H,25,27)
InChIKeyFGTYGCGNHLDVRM-UHFFFAOYSA-N
MW475.56 g/mol
LogP4.10
Rot. Bonds9

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 55364648) has the molecular formula C20H24F3N3O3S2 and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID55364648
Molecular FormulaC20H24F3N3O3S2
Molecular Weight475.56 g/mol
Exact Mass475.12
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H24F3N3O3S2/c1-4-26(5-2)31(28,29)17-9-6-15(7-10-17)14(3)25-18(27)13-30-19-11-8-16(12-24-19)20(21,22)23/h6-12,14H,4-5,13H2,1-3H3,(H,25,27)
InChIKeyFGTYGCGNHLDVRM-UHFFFAOYSA-N
XLogP4.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55364493
2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 41481145
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 30028161
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55338802
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 32752664
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
N-(2-methylbutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 47111305
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41256051
N,N-diethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-3H-benzimidazole-5-sulfonamide
CID 35590520
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55487296
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 55364648) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is FGTYGCGNHLDVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3S2/c1-4-26(5-2)31(28,29)17-9-6-15(7-10-17)14(3)25-18(27)13-30-19-11-8-16(12-24-19)20(21,22)23/h6-12,14H,4-5,13H2,1-3H3,(H,25,27).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 475.56 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 55364648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).