N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide

C13H10ClNO2S — CID 94288947

IUPACN-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNO2S/c14-11-7-6-10(18-11)12(16)13(17)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)
InChIKeyYEWNFQLKTIOWFJ-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.90
Rot. Bonds4

About N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide

N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide (PubChem CID 94288947) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide
PubChem CID94288947
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC NameN-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNO2S/c14-11-7-6-10(18-11)12(16)13(17)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)
InChIKeyYEWNFQLKTIOWFJ-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-oxo-2-thiophen-2-ylacetamide
CID 13301283
N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070790
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
CID 121180311
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
1-benzyl-3-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]thiourea
CID 6039280
2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide
CID 82115910
4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 18108735
N'-benzyloxamide
CID 561416
1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone
CID 62030962
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 55169960

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide (CID 94288947) is N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide is O=C(NCc1ccccc1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide?
The InChIKey is YEWNFQLKTIOWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c14-11-7-6-10(18-11)12(16)13(17)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17).
What are the key properties of N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide?
N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide has a molecular weight of 279.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide is sourced from PubChem (CID 94288947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).