N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide

C7H6Cl3NO2S — CID 794769

IUPACN-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](O)C(Cl)(Cl)Cl)c1cccs1
InChIInChI=1S/C7H6Cl3NO2S/c8-7(9,10)6(13)11-5(12)4-2-1-3-14-4/h1-3,6,13H,(H,11,12)/t6-/m1/s1
InChIKeyHEHHMKKVHJGVHL-ZCFIWIBFSA-N
MW274.56 g/mol
LogP2.17
Rot. Bonds2

About N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide

N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide (PubChem CID 794769) has the molecular formula C7H6Cl3NO2S and a molecular weight of 274.56 g/mol. Its IUPAC name is N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide
PubChem CID794769
Molecular FormulaC7H6Cl3NO2S
Molecular Weight274.56 g/mol
Exact Mass272.92
IUPAC NameN-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](O)C(Cl)(Cl)Cl)c1cccs1
InChIInChI=1S/C7H6Cl3NO2S/c8-7(9,10)6(13)11-5(12)4-2-1-3-14-4/h1-3,6,13H,(H,11,12)/t6-/m1/s1
InChIKeyHEHHMKKVHJGVHL-ZCFIWIBFSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.56
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 4122342
N-[(1R)-2,2,2-trichloro-1-(cyclohexylamino)ethyl]thiophene-2-carboxamide
CID 1100413
N-[(1S)-2,2,2-trichloro-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]thiophene-2-carboxamide
CID 7322717
N-[2,2,2-trichloro-1-(4-iodoanilino)ethyl]thiophene-2-carboxamide
CID 2843522
N-(dicyanomethyl)thiophene-2-carboxamide
CID 22299074
N-sulfanylthiophene-2-carboxamide
CID 87476143
N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]thiophene-2-carboxamide
CID 45125850
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
N-[2,2,2-trichloro-1-[2-(dimethylamino)ethylamino]ethyl]thiophene-2-carboxamide
CID 3788652
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[1-(benzotriazol-1-yl)-2,2-dichloropropyl]thiophene-2-carboxamide
CID 18770520
N-[(1S)-2,2,2-trichloro-1-(3,4-dimethylanilino)ethyl]thiophene-2-carboxamide
CID 1159829

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide (CID 794769) is N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide is O=C(N[C@H](O)C(Cl)(Cl)Cl)c1cccs1.
What is the InChIKey of N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide?
The InChIKey is HEHHMKKVHJGVHL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H6Cl3NO2S/c8-7(9,10)6(13)11-5(12)4-2-1-3-14-4/h1-3,6,13H,(H,11,12)/t6-/m1/s1.
What are the key properties of N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide?
N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide has a molecular weight of 274.56 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide is sourced from PubChem (CID 794769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).