N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide

C10H13ClN2O2S — CID 108573266

IUPACN-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(CCl)NCCNC(=O)Cc1cccs1
InChIInChI=1S/C10H13ClN2O2S/c11-7-10(15)13-4-3-12-9(14)6-8-2-1-5-16-8/h1-2,5H,3-4,6-7H2,(H,12,14)(H,13,15)
InChIKeyADYJCXTYHMMHBX-UHFFFAOYSA-N
MW260.75 g/mol
LogP0.76
Rot. Bonds6

About N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide

N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 108573266) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
PubChem CID108573266
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC NameN-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(CCl)NCCNC(=O)Cc1cccs1
InChIInChI=1S/C10H13ClN2O2S/c11-7-10(15)13-4-3-12-9(14)6-8-2-1-5-16-8/h1-2,5H,3-4,6-7H2,(H,12,14)(H,13,15)
InChIKeyADYJCXTYHMMHBX-UHFFFAOYSA-N
XLogP0.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
CID 57169097
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-(2-chloroprop-2-enyl)-2-thiophen-2-ylacetamide
CID 115636481
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045
2-hydroxy-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 47712275
N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
CID 90500614
N-(3-azidopropyl)-2-thiophen-2-ylacetamide
CID 55138752
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108542051
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide (CID 108573266) is N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide is O=C(CCl)NCCNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is ADYJCXTYHMMHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-7-10(15)13-4-3-12-9(14)6-8-2-1-5-16-8/h1-2,5H,3-4,6-7H2,(H,12,14)(H,13,15).
What are the key properties of N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 260.75 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 108573266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).