5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide

C15H16BrNO2S — CID 79926716

IUPAC5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2cc(C)c(Br)s2)C2CC2)o1
InChIInChI=1S/C15H16BrNO2S/c1-9-7-13(20-14(9)16)15(18)17(11-4-5-11)8-12-6-3-10(2)19-12/h3,6-7,11H,4-5,8H2,1-2H3
InChIKeyCFAVDPBLXKPZOS-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.53
Rot. Bonds4

About 5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide

5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 79926716) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
PubChem CID79926716
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2cc(C)c(Br)s2)C2CC2)o1
InChIInChI=1S/C15H16BrNO2S/c1-9-7-13(20-14(9)16)15(18)17(11-4-5-11)8-12-6-3-10(2)19-12/h3,6-7,11H,4-5,8H2,1-2H3
InChIKeyCFAVDPBLXKPZOS-UHFFFAOYSA-N
XLogP4.53
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide (CID 79926716) is 5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide is Cc1ccc(CN(C(=O)c2cc(C)c(Br)s2)C2CC2)o1.
What is the InChIKey of 5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is CFAVDPBLXKPZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-9-7-13(20-14(9)16)15(18)17(11-4-5-11)8-12-6-3-10(2)19-12/h3,6-7,11H,4-5,8H2,1-2H3.
What are the key properties of 5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide?
5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 79926716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).