2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C19H17BrN2O3S — CID 56501423

IUPAC2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)COc2ccc3cc(Br)ccc3c2)c(C(N)=O)c1C
InChIInChI=1S/C19H17BrN2O3S/c1-10-11(2)26-19(17(10)18(21)24)22-16(23)9-25-15-6-4-12-7-14(20)5-3-13(12)8-15/h3-8H,9H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyZSEBIELDHWARGN-UHFFFAOYSA-N
MW433.33 g/mol
LogP4.40
Rot. Bonds5

About 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 56501423) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID56501423
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC Name2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)COc2ccc3cc(Br)ccc3c2)c(C(N)=O)c1C
InChIInChI=1S/C19H17BrN2O3S/c1-10-11(2)26-19(17(10)18(21)24)22-16(23)9-25-15-6-4-12-7-14(20)5-3-13(12)8-15/h3-8H,9H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyZSEBIELDHWARGN-UHFFFAOYSA-N
XLogP4.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 3482744
ethyl 4,5-dimethyl-2-[(2-naphthalen-2-yloxyacetyl)amino]thiophene-3-carboxylate
CID 5071821
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide
CID 10714147
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 969209
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
ethyl 4,5-dimethyl-2-[[2-(2-naphthalen-2-yloxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 4242634
2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4960663
ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 7521258
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692626
4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 46926709

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 56501423) is 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)COc2ccc3cc(Br)ccc3c2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is ZSEBIELDHWARGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-10-11(2)26-19(17(10)18(21)24)22-16(23)9-25-15-6-4-12-7-14(20)5-3-13(12)8-15/h3-8H,9H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 433.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 56501423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).