5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide

C8H9Cl2NO2S — CID 78109019

IUPAC5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)CCl)c1ccc(Cl)s1
InChIInChI=1S/C8H9Cl2NO2S/c9-3-5(12)4-11-8(13)6-1-2-7(10)14-6/h1-2,5,12H,3-4H2,(H,11,13)
InChIKeyXSGMBZPBLJKZLG-UHFFFAOYSA-N
MW254.14 g/mol
LogP1.73
Rot. Bonds4

About 5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide

5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide (PubChem CID 78109019) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
PubChem CID78109019
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)CCl)c1ccc(Cl)s1
InChIInChI=1S/C8H9Cl2NO2S/c9-3-5(12)4-11-8(13)6-1-2-7(10)14-6/h1-2,5,12H,3-4H2,(H,11,13)
InChIKeyXSGMBZPBLJKZLG-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide
CID 90168959
N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070790
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95986574
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597
5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117523
5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
CID 166326558
[(2S)-1-chloro-3-[(5-chlorothiophene-2-carbonyl)amino]propan-2-yl] phenyl carbonate
CID 89478513
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
N-[(2S)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 68659043
5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide
CID 58834683

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide (CID 78109019) is 5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide is O=C(NCC(O)CCl)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide?
The InChIKey is XSGMBZPBLJKZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c9-3-5(12)4-11-8(13)6-1-2-7(10)14-6/h1-2,5,12H,3-4H2,(H,11,13).
What are the key properties of 5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide?
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide has a molecular weight of 254.14 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 78109019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).