2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

C23H21Cl2FN2O3S — CID 162676137

IUPAC2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
SMILESCOc1ccc(N(C(=O)C(F)Cl)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl
InChIInChI=1S/C23H21Cl2FN2O3S/c1-31-18-10-9-16(14-17(18)24)28(23(30)21(25)26)20(19-8-5-13-32-19)22(29)27-12-11-15-6-3-2-4-7-15/h2-10,13-14,20-21H,11-12H2,1H3,(H,27,29)
InChIKeyFUETXMTUQMSGMM-UHFFFAOYSA-N
MW495.40 g/mol
LogP5.38
Rot. Bonds9

About 2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (PubChem CID 162676137) has the molecular formula C23H21Cl2FN2O3S and a molecular weight of 495.40 g/mol. Its IUPAC name is 2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
PubChem CID162676137
Molecular FormulaC23H21Cl2FN2O3S
Molecular Weight495.40 g/mol
Exact Mass494.06
IUPAC Name2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
SMILESCOc1ccc(N(C(=O)C(F)Cl)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl
InChIInChI=1S/C23H21Cl2FN2O3S/c1-31-18-10-9-16(14-17(18)24)28(23(30)21(25)26)20(19-8-5-13-32-19)22(29)27-12-11-15-6-3-2-4-7-15/h2-10,13-14,20-21H,11-12H2,1H3,(H,27,29)
InChIKeyFUETXMTUQMSGMM-UHFFFAOYSA-N
XLogP5.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.40
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(2-bromoacetyl)-3-chloro-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
CID 162649583
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]but-2-ynamide
CID 166630408
2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
CID 170769345
N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide
CID 174251114
N-[1-(3-aminophenyl)-2-(benzylamino)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)prop-2-ynamide
CID 166634980
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 55411817
N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 98109076
N-[2-(3-chloro-4-methoxy-N-[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 98108983
2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
CID 175945806
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2285614
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113172682
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 132662735

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (CID 162676137) is 2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide is COc1ccc(N(C(=O)C(F)Cl)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl.
What is the InChIKey of 2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is FUETXMTUQMSGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O3S/c1-31-18-10-9-16(14-17(18)24)28(23(30)21(25)26)20(19-8-5-13-32-19)22(29)27-12-11-15-6-3-2-4-7-15/h2-10,13-14,20-21H,11-12H2,1H3,(H,27,29).
What are the key properties of 2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 495.40 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 162676137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).