N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide

C14H16BrNO2S — CID 47288271

IUPACN-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(C)Cc2cc(Br)cs2)c1C
InChIInChI=1S/C14H16BrNO2S/c1-8-9(2)18-10(3)13(8)14(17)16(4)6-12-5-11(15)7-19-12/h5,7H,6H2,1-4H3
InChIKeyZYYJESWJGMLFRO-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.30
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide (PubChem CID 47288271) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
PubChem CID47288271
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(C)Cc2cc(Br)cs2)c1C
InChIInChI=1S/C14H16BrNO2S/c1-8-9(2)18-10(3)13(8)14(17)16(4)6-12-5-11(15)7-19-12/h5,7H,6H2,1-4H3
InChIKeyZYYJESWJGMLFRO-UHFFFAOYSA-N
XLogP4.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide
CID 112695551
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
(2E,4E)-N-[(4-bromothiophen-2-yl)methyl]-N-methylhexa-2,4-dienamide
CID 55028857
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 55060233
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide
CID 61109461
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
3,5-diacetamido-N-[(4-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 55843736
N-[(4-bromothiophen-2-yl)methyl]-N-methylbut-2-ynamide
CID 107987924

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide (CID 47288271) is N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)N(C)Cc2cc(Br)cs2)c1C.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The InChIKey is ZYYJESWJGMLFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-8-9(2)18-10(3)13(8)14(17)16(4)6-12-5-11(15)7-19-12/h5,7H,6H2,1-4H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide has a molecular weight of 342.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide is sourced from PubChem (CID 47288271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).