propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

C15H16BrNO4S — CID 1008628

IUPACpropan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(NC(=O)c2ccc(Br)o2)c(C(=O)OC(C)C)c1C
InChIInChI=1S/C15H16BrNO4S/c1-7(2)20-15(19)12-8(3)9(4)22-14(12)17-13(18)10-5-6-11(16)21-10/h5-7H,1-4H3,(H,17,18)
InChIKeySFHFUCIUVDJLJW-UHFFFAOYSA-N
MW386.27 g/mol
LogP4.54
Rot. Bonds4

About propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 1008628) has the molecular formula C15H16BrNO4S and a molecular weight of 386.27 g/mol. Its IUPAC name is propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID1008628
Molecular FormulaC15H16BrNO4S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC Namepropan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(NC(=O)c2ccc(Br)o2)c(C(=O)OC(C)C)c1C
InChIInChI=1S/C15H16BrNO4S/c1-7(2)20-15(19)12-8(3)9(4)22-14(12)17-13(18)10-5-6-11(16)21-10/h5-7H,1-4H3,(H,17,18)
InChIKeySFHFUCIUVDJLJW-UHFFFAOYSA-N
XLogP4.54
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 1008628) is propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is Cc1sc(NC(=O)c2ccc(Br)o2)c(C(=O)OC(C)C)c1C.
What is the InChIKey of propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is SFHFUCIUVDJLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S/c1-7(2)20-15(19)12-8(3)9(4)22-14(12)17-13(18)10-5-6-11(16)21-10/h5-7H,1-4H3,(H,17,18).
What are the key properties of propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 386.27 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 1008628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).