N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide

C18H19F3N2O4S — CID 108573645

IUPACN-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-2-27-13-7-9-14(10-8-13)28(25,26)23-12-11-22-17(24)15-5-3-4-6-16(15)18(19,20)21/h3-10,23H,2,11-12H2,1H3,(H,22,24)
InChIKeyBWAQUWJRDCTDFC-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.81
Rot. Bonds8

About N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide

N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 108573645) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID108573645
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC NameN-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-2-27-13-7-9-14(10-8-13)28(25,26)23-12-11-22-17(24)15-5-3-4-6-16(15)18(19,20)21/h3-10,23H,2,11-12H2,1H3,(H,22,24)
InChIKeyBWAQUWJRDCTDFC-UHFFFAOYSA-N
XLogP2.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
CID 108573152
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 30366264
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108572022
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide (CID 108573645) is N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide is CCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is BWAQUWJRDCTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-2-27-13-7-9-14(10-8-13)28(25,26)23-12-11-22-17(24)15-5-3-4-6-16(15)18(19,20)21/h3-10,23H,2,11-12H2,1H3,(H,22,24).
What are the key properties of N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide?
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 416.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108573645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).