N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide

C15H15ClN2O4S — CID 78792180

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15ClN2O4S/c1-2-17(9-13-7-8-14(16)23-13)15(19)10-22-12-5-3-11(4-6-12)18(20)21/h3-8H,2,9-10H2,1H3
InChIKeyFFZSNOPLFWZCJX-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.74
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide (PubChem CID 78792180) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide
PubChem CID78792180
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15ClN2O4S/c1-2-17(9-13-7-8-14(16)23-13)15(19)10-22-12-5-3-11(4-6-12)18(20)21/h3-8H,2,9-10H2,1H3
InChIKeyFFZSNOPLFWZCJX-UHFFFAOYSA-N
XLogP3.74
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9337841
2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 55397253
N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide
CID 60655198
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 4-cyanobenzoate
CID 9201883
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 78791448
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 9107496
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 9010975
N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide
CID 75872502
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(4-cyanophenyl)phenoxy]-N-methylacetamide
CID 8005575
N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 112704729
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9012034

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide (CID 78792180) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide is CCN(Cc1ccc(Cl)s1)C(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide?
The InChIKey is FFZSNOPLFWZCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-2-17(9-13-7-8-14(16)23-13)15(19)10-22-12-5-3-11(4-6-12)18(20)21/h3-8H,2,9-10H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide has a molecular weight of 354.82 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 78792180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).