N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide

C14H13ClN2O3S — CID 39735708

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13ClN2O3S/c1-16(9-11-6-7-13(15)21-11)14(18)8-10-4-2-3-5-12(10)17(19)20/h2-7H,8-9H2,1H3
InChIKeyLTJYQMUMMIIZGG-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.51
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide (PubChem CID 39735708) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide
PubChem CID39735708
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13ClN2O3S/c1-16(9-11-6-7-13(15)21-11)14(18)8-10-4-2-3-5-12(10)17(19)20/h2-7H,8-9H2,1H3
InChIKeyLTJYQMUMMIIZGG-UHFFFAOYSA-N
XLogP3.51
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide
CID 4807483
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-nitrobenzamide
CID 9107688
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 39735523
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
N-[(5-chlorothiophen-2-yl)methyl]-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680930
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
2-[methyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 62627251
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-nitrocyclopropane-1-carboxylate
CID 55999835
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39441815
(2S)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-nitrophenyl)propanamide
CID 8773786

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide (CID 39735708) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide is CN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide?
The InChIKey is LTJYQMUMMIIZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-16(9-11-6-7-13(15)21-11)14(18)8-10-4-2-3-5-12(10)17(19)20/h2-7H,8-9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide has a molecular weight of 324.79 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 39735708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).