N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide

C20H16Cl3NO2S — CID 162666509

IUPACN-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1ccc(CN(C(=O)Cc2cccs2)c2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C20H16Cl3NO2S/c1-26-14-6-4-13(5-7-14)12-24(20(25)9-15-3-2-8-27-15)19-11-17(22)16(21)10-18(19)23/h2-8,10-11H,9,12H2,1H3
InChIKeyGNIKPAAIDXEZJW-UHFFFAOYSA-N
MW440.78 g/mol
LogP6.49
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide

N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 162666509) has the molecular formula C20H16Cl3NO2S and a molecular weight of 440.78 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID162666509
Molecular FormulaC20H16Cl3NO2S
Molecular Weight440.78 g/mol
Exact Mass439.00
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1ccc(CN(C(=O)Cc2cccs2)c2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C20H16Cl3NO2S/c1-26-14-6-4-13(5-7-14)12-24(20(25)9-15-3-2-8-27-15)19-11-17(22)16(21)10-18(19)23/h2-8,10-11H,9,12H2,1H3
InChIKeyGNIKPAAIDXEZJW-UHFFFAOYSA-N
XLogP6.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.78
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443
N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340270
2-[(4-methoxyphenyl)methyl-(thiophene-2-carbonyl)amino]benzoic acid
CID 1034525
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3210903
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 112790494
(2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1450014
2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202731
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 16626042
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide (CID 162666509) is N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide is COc1ccc(CN(C(=O)Cc2cccs2)c2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is GNIKPAAIDXEZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3NO2S/c1-26-14-6-4-13(5-7-14)12-24(20(25)9-15-3-2-8-27-15)19-11-17(22)16(21)10-18(19)23/h2-8,10-11H,9,12H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 440.78 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 162666509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).