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

C22H21ClN2O3S — CID 170769345

IUPAC2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
SMILESCOc1ccc(N(C=O)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl
InChIInChI=1S/C22H21ClN2O3S/c1-28-19-10-9-17(14-18(19)23)25(15-26)21(20-8-5-13-29-20)22(27)24-12-11-16-6-3-2-4-7-16/h2-10,13-15,21H,11-12H2,1H3,(H,24,27)
InChIKeyPHALLOATRLGKRS-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.47
Rot. Bonds9

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

2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (PubChem CID 170769345) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
PubChem CID170769345
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
SMILESCOc1ccc(N(C=O)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl
InChIInChI=1S/C22H21ClN2O3S/c1-28-19-10-9-17(14-18(19)23)25(15-26)21(20-8-5-13-29-20)22(27)24-12-11-16-6-3-2-4-7-16/h2-10,13-15,21H,11-12H2,1H3,(H,24,27)
InChIKeyPHALLOATRLGKRS-UHFFFAOYSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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
2-(3-chloro-N-(2-chloro-2-fluoroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
CID 162676137
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]but-2-ynamide
CID 166630408
N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]-N-phenylprop-2-ynamide
CID 174251114
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 55411817
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-oxo-2-thiophen-2-ylbutanamide
CID 59626605
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-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 132662735
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide
CID 125066082
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113070260
(2R)-N-[(2S)-1-[(3-chloro-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide
CID 165160079

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (CID 170769345) is 2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide is COc1ccc(N(C=O)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl.
What is the InChIKey of 2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is PHALLOATRLGKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-28-19-10-9-17(14-18(19)23)25(15-26)21(20-8-5-13-29-20)22(27)24-12-11-16-6-3-2-4-7-16/h2-10,13-15,21H,11-12H2,1H3,(H,24,27).
What are the key properties of 2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
2-(3-chloro-N-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 428.94 g/mol, XLogP of 4.47, 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-formyl-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 170769345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).