2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide

C18H23ClN2O2S — CID 26517660

IUPAC2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCCN(CC(=O)NCCOc1cccc(C)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C18H23ClN2O2S/c1-3-21(12-16-7-8-17(19)24-16)13-18(22)20-9-10-23-15-6-4-5-14(2)11-15/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyOVBKFVVSLBVATC-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.73
Rot. Bonds9

About 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide

2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 26517660) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID26517660
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCCN(CC(=O)NCCOc1cccc(C)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C18H23ClN2O2S/c1-3-21(12-16-7-8-17(19)24-16)13-18(22)20-9-10-23-15-6-4-5-14(2)11-15/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyOVBKFVVSLBVATC-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
CID 27072038
(E)-3-(5-chlorothiophen-2-yl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 18206351
1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969935
N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide
CID 78782902
2-(diethylamino)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060147
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 111336190
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 30825293
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 26548129
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 112796459
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 26517660) is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide is CCN(CC(=O)NCCOc1cccc(C)c1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is OVBKFVVSLBVATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-3-21(12-16-7-8-17(19)24-16)13-18(22)20-9-10-23-15-6-4-5-14(2)11-15/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 366.91 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 26517660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).