2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C7H5Cl3N2OS — CID 11000179

IUPAC2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(N/N=C/c1cccs1)C(Cl)(Cl)Cl
InChIInChI=1S/C7H5Cl3N2OS/c8-7(9,10)6(13)12-11-4-5-2-1-3-14-5/h1-4H,(H,12,13)/b11-4+
InChIKeyZIVVDQBUGRJPGP-NYYWCZLTSA-N
MW271.56 g/mol
LogP2.57
Rot. Bonds2

About 2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 11000179) has the molecular formula C7H5Cl3N2OS and a molecular weight of 271.56 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID11000179
Molecular FormulaC7H5Cl3N2OS
Molecular Weight271.56 g/mol
Exact Mass269.92
IUPAC Name2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(N/N=C/c1cccs1)C(Cl)(Cl)Cl
InChIInChI=1S/C7H5Cl3N2OS/c8-7(9,10)6(13)12-11-4-5-2-1-3-14-5/h1-4H,(H,12,13)/b11-4+
InChIKeyZIVVDQBUGRJPGP-NYYWCZLTSA-N
XLogP2.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.56
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate
CID 5399730
N-[(E)-thiophen-2-ylmethylideneamino]octanamide
CID 6894116
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
N-(thiophen-2-ylmethylideneamino)pyridine-2-carboxamide
CID 760257
N-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
CID 5414238
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519
N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 4050044

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 11000179) is 2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is O=C(N/N=C/c1cccs1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is ZIVVDQBUGRJPGP-NYYWCZLTSA-N. The full InChI is InChI=1S/C7H5Cl3N2OS/c8-7(9,10)6(13)12-11-4-5-2-1-3-14-5/h1-4H,(H,12,13)/b11-4+.
What are the key properties of 2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 271.56 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 11000179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).