N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide

C9H10Cl2N2O2S — CID 108573968

IUPACN-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNC(=O)C(Cl)Cl)c1cccs1
InChIInChI=1S/C9H10Cl2N2O2S/c10-7(11)9(15)13-4-3-12-8(14)6-2-1-5-16-6/h1-2,5,7H,3-4H2,(H,12,14)(H,13,15)
InChIKeyKHACGPHIWSUMFT-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.40
Rot. Bonds5

About N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide

N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 108573968) has the molecular formula C9H10Cl2N2O2S and a molecular weight of 281.16 g/mol. Its IUPAC name is N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
PubChem CID108573968
Molecular FormulaC9H10Cl2N2O2S
Molecular Weight281.16 g/mol
Exact Mass279.98
IUPAC NameN-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNC(=O)C(Cl)Cl)c1cccs1
InChIInChI=1S/C9H10Cl2N2O2S/c10-7(11)9(15)13-4-3-12-8(14)6-2-1-5-16-6/h1-2,5,7H,3-4H2,(H,12,14)(H,13,15)
InChIKeyKHACGPHIWSUMFT-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.40
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

N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
CID 119727138
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide
CID 115626836
N-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide (CID 108573968) is N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide is O=C(NCCNC(=O)C(Cl)Cl)c1cccs1.
What is the InChIKey of N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is KHACGPHIWSUMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2S/c10-7(11)9(15)13-4-3-12-8(14)6-2-1-5-16-6/h1-2,5,7H,3-4H2,(H,12,14)(H,13,15).
What are the key properties of N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide?
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 281.16 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 108573968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).