N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C17H16ClF3N2O3S2 — CID 55360429

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O3S2/c1-2-8-23(11-13-6-7-15(18)27-13)16(24)10-22-28(25,26)14-5-3-4-12(9-14)17(19,20)21/h2-7,9,22H,1,8,10-11H2
InChIKeyVKEZCPNBLZZAQZ-UHFFFAOYSA-N
MW452.91 g/mol
LogP3.91
Rot. Bonds8

About N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 55360429) has the molecular formula C17H16ClF3N2O3S2 and a molecular weight of 452.91 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID55360429
Molecular FormulaC17H16ClF3N2O3S2
Molecular Weight452.91 g/mol
Exact Mass452.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O3S2/c1-2-8-23(11-13-6-7-15(18)27-13)16(24)10-22-28(25,26)14-5-3-4-12(9-14)17(19,20)21/h2-7,9,22H,1,8,10-11H2
InChIKeyVKEZCPNBLZZAQZ-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.91
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545974
N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 119688617
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
N-[(5-chlorothiophen-2-yl)methyl]-3-methylsulfonyl-N-prop-2-enylbenzamide
CID 51177453
N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545933
N-[(5-chlorothiophen-2-yl)methyl]-3-cyclopropyl-3-hydroxy-3-phenyl-N-prop-2-enylpropanamide
CID 71845121
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-3-cyclopropyl-3-hydroxy-3-phenyl-N-prop-2-enylpropanamide
CID 97019744
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-prop-2-enylpentanamide
CID 79198711
N-[(4-bromophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55328980
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78781511
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 9108589

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 55360429) is N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is C=CCN(Cc1ccc(Cl)s1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is VKEZCPNBLZZAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3S2/c1-2-8-23(11-13-6-7-15(18)27-13)16(24)10-22-28(25,26)14-5-3-4-12(9-14)17(19,20)21/h2-7,9,22H,1,8,10-11H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 452.91 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 55360429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).