N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide

C19H19BrN2O3S — CID 55841599

IUPACN-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)C(C)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C19H19BrN2O3S/c1-11(22(3)9-14-8-13(20)10-26-14)19(24)21-17-15-6-4-5-7-16(15)25-18(17)12(2)23/h4-8,10-11H,9H2,1-3H3,(H,21,24)
InChIKeyUXGMRQQSZFNNIY-UHFFFAOYSA-N
MW435.34 g/mol
LogP4.92
Rot. Bonds6

About N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide

N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide (PubChem CID 55841599) has the molecular formula C19H19BrN2O3S and a molecular weight of 435.34 g/mol. Its IUPAC name is N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide
PubChem CID55841599
Molecular FormulaC19H19BrN2O3S
Molecular Weight435.34 g/mol
Exact Mass434.03
IUPAC NameN-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)C(C)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C19H19BrN2O3S/c1-11(22(3)9-14-8-13(20)10-26-14)19(24)21-17-15-6-4-5-7-16(15)25-18(17)12(2)23/h4-8,10-11H,9H2,1-3H3,(H,21,24)
InChIKeyUXGMRQQSZFNNIY-UHFFFAOYSA-N
XLogP4.92
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
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(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434105
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide?
The IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide (CID 55841599) is N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide?
The canonical SMILES for N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide is CC(=O)c1oc2ccccc2c1NC(=O)C(C)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide?
The InChIKey is UXGMRQQSZFNNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S/c1-11(22(3)9-14-8-13(20)10-26-14)19(24)21-17-15-6-4-5-7-16(15)25-18(17)12(2)23/h4-8,10-11H,9H2,1-3H3,(H,21,24).
What are the key properties of N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide?
N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide has a molecular weight of 435.34 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide is sourced from PubChem (CID 55841599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).