5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H23BrN2O2S — CID 55830189

IUPAC5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)C(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H23BrN2O2S/c1-9(2)8-10(3)18(5)15(20)11(4)17-14(19)12-6-7-13(16)21-12/h6-7,9-11H,8H2,1-5H3,(H,17,19)
InChIKeyVVYGAOLWLRCKCJ-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.52
Rot. Bonds6

About 5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55830189) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55830189
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)C(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H23BrN2O2S/c1-9(2)8-10(3)18(5)15(20)11(4)17-14(19)12-6-7-13(16)21-12/h6-7,9-11H,8H2,1-5H3,(H,17,19)
InChIKeyVVYGAOLWLRCKCJ-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55830189) is 5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(C)CC(C)N(C)C(=O)C(C)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is VVYGAOLWLRCKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-9(2)8-10(3)18(5)15(20)11(4)17-14(19)12-6-7-13(16)21-12/h6-7,9-11H,8H2,1-5H3,(H,17,19).
What are the key properties of 5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 375.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55830189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).