5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide

C16H18BrNOS — CID 63523885

IUPAC5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C16H18BrNOS/c1-16(2,3)14(11-7-5-4-6-8-11)18-15(19)12-9-10-13(17)20-12/h4-10,14H,1-3H3,(H,18,19)
InChIKeyNESFNBPHLKDPAW-UHFFFAOYSA-N
MW352.30 g/mol
LogP5.03
Rot. Bonds3

About 5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide

5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide (PubChem CID 63523885) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide
PubChem CID63523885
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C16H18BrNOS/c1-16(2,3)14(11-7-5-4-6-8-11)18-15(19)12-9-10-13(17)20-12/h4-10,14H,1-3H3,(H,18,19)
InChIKeyNESFNBPHLKDPAW-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.30
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide
CID 114311057
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-3-carboxamide
CID 63523884
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
CID 114295719
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55832880
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide
CID 103733000
5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 114305407

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide (CID 63523885) is 5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide is CC(C)(C)C(NC(=O)c1ccc(Br)s1)c1ccccc1.
What is the InChIKey of 5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide?
The InChIKey is NESFNBPHLKDPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-16(2,3)14(11-7-5-4-6-8-11)18-15(19)12-9-10-13(17)20-12/h4-10,14H,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide?
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide has a molecular weight of 352.30 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 63523885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).