4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide

C16H16BrNO2S — CID 86264371

IUPAC4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)c1cc(Br)cs1
InChIInChI=1S/C16H16BrNO2S/c17-13-8-14(21-9-13)15(19)18-10-16(20,12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,20H,6-7,10H2,(H,18,19)
InChIKeyQFNRVIUYTIQWOM-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.54
Rot. Bonds5

About 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide

4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide (PubChem CID 86264371) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide
PubChem CID86264371
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)c1cc(Br)cs1
InChIInChI=1S/C16H16BrNO2S/c17-13-8-14(21-9-13)15(19)18-10-16(20,12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,20H,6-7,10H2,(H,18,19)
InChIKeyQFNRVIUYTIQWOM-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide
CID 52992675
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
CID 56764199
N-[(R)-2-cyclopropyl-2-hydroxy-2-(2-thienyl)ethyl]o-(trifluoromethyl)benzamide
CID 95982745
N-[(R)-2-hydroxy-2-[p-(trifluoromethyl)phenyl]ethyl]-4-bromo-2-thenamide
CID 99873929
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 71781706
N-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)thiophene-2-carboxamide
CID 71781802
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)thiophene-2-carboxamide
CID 71782124
2-bromo-N-[2-hydroxy-2-(thiophen-2-yl)propyl]benzamide
CID 71782384
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 71788738
2-bromo-N-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)benzamide
CID 71804657

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide (CID 86264371) is 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide is O=C(NCC(O)(c1ccccc1)C1CC1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is QFNRVIUYTIQWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c17-13-8-14(21-9-13)15(19)18-10-16(20,12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,20H,6-7,10H2,(H,18,19).
What are the key properties of 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide?
4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 366.28 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 86264371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).