5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid

C70H59Br2N7O12S6 — CID 159464342

IUPAC5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid
SMILESCOc1cccc(CNC(=O)c2csc(-c3c[nH]c4ncccc34)c2)c1.COc1cccc(CNC(=O)c2csc(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ncccc34)c2)c1.COc1cccc(CNC(=O)c2csc(Br)c2)c1.O=C(O)c1ccsc1.O=C(O)c1csc(Br)c1
InChIInChI=1S/C27H23N3O4S2.C20H17N3O2S.C13H12BrNO2S.C5H3BrO2S.C5H4O2S/c1-18-8-10-22(11-9-18)36(32,33)30-16-24(23-7-4-12-28-26(23)30)25-14-20(17-35-25)27(31)29-15-19-5-3-6-21(13-19)34-2;1-25-15-5-2-4-13(8-15)10-23-20(24)14-9-18(26-12-14)17-11-22-19-16(17)6-3-7-21-19;1-17-11-4-2-3-9(5-11)7-15-13(16)10-6-12(14)18-8-10;6-4-1-3(2-9-4)5(7)8;6-5(7)4-1-2-8-3-4/h3-14,16-17H,15H2,1-2H3,(H,29,31);2-9,11-12H,10H2,1H3,(H,21,22)(H,23,24);2-6,8H,7H2,1H3,(H,15,16);1-2H,(H,7,8);1-3H,(H,6,7)
InChIKeyLUZKKCVLEWDXAF-UHFFFAOYSA-N
MW1542.49 g/mol
LogP16.58
Rot. Bonds18

About 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid

5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid (PubChem CID 159464342) has the molecular formula C70H59Br2N7O12S6 and a molecular weight of 1542.49 g/mol. Its IUPAC name is 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid
PubChem CID159464342
Molecular FormulaC70H59Br2N7O12S6
Molecular Weight1542.49 g/mol
Exact Mass1539.09
IUPAC Name5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid
SMILESCOc1cccc(CNC(=O)c2csc(-c3c[nH]c4ncccc34)c2)c1.COc1cccc(CNC(=O)c2csc(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ncccc34)c2)c1.COc1cccc(CNC(=O)c2csc(Br)c2)c1.O=C(O)c1ccsc1.O=C(O)c1csc(Br)c1
InChIInChI=1S/C27H23N3O4S2.C20H17N3O2S.C13H12BrNO2S.C5H3BrO2S.C5H4O2S/c1-18-8-10-22(11-9-18)36(32,33)30-16-24(23-7-4-12-28-26(23)30)25-14-20(17-35-25)27(31)29-15-19-5-3-6-21(13-19)34-2;1-25-15-5-2-4-13(8-15)10-23-20(24)14-9-18(26-12-14)17-11-22-19-16(17)6-3-7-21-19;1-17-11-4-2-3-9(5-11)7-15-13(16)10-6-12(14)18-8-10;6-4-1-3(2-9-4)5(7)8;6-5(7)4-1-2-8-3-4/h3-14,16-17H,15H2,1-2H3,(H,29,31);2-9,11-12H,10H2,1H3,(H,21,22)(H,23,24);2-6,8H,7H2,1H3,(H,15,16);1-2H,(H,7,8);1-3H,(H,6,7)
InChIKeyLUZKKCVLEWDXAF-UHFFFAOYSA-N
XLogP16.58
TPSA270.23 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001542.49
LogP ≤ 516.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid?
The IUPAC name of 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid (CID 159464342) is 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid.
What is the SMILES notation for 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid?
The canonical SMILES for 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid is COc1cccc(CNC(=O)c2csc(-c3c[nH]c4ncccc34)c2)c1.COc1cccc(CNC(=O)c2csc(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ncccc34)c2)c1.COc1cccc(CNC(=O)c2csc(Br)c2)c1.O=C(O)c1ccsc1.O=C(O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid?
The InChIKey is LUZKKCVLEWDXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4S2.C20H17N3O2S.C13H12BrNO2S.C5H3BrO2S.C5H4O2S/c1-18-8-10-22(11-9-18)36(32,33)30-16-24(23-7-4-12-28-26(23)30)25-14-20(17-35-25)27(31)29-15-19-5-3-6-21(13-19)34-2;1-25-15-5-2-4-13(8-15)10-23-20(24)14-9-18(26-12-14)17-11-22-19-16(17)6-3-7-21-19;1-17-11-4-2-3-9(5-11)7-15-13(16)10-6-12(14)18-8-10;6-4-1-3(2-9-4)5(7)8;6-5(7)4-1-2-8-3-4/h3-14,16-17H,15H2,1-2H3,(H,29,31);2-9,11-12H,10H2,1H3,(H,21,22)(H,23,24);2-6,8H,7H2,1H3,(H,15,16);1-2H,(H,7,8);1-3H,(H,6,7).
What are the key properties of 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid?
5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid has a molecular weight of 1542.49 g/mol, XLogP of 16.58, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methoxyphenyl)methyl]thiophene-3-carboxamide;5-bromothiophene-3-carboxylic acid;N-[(3-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]thiophene-3-carboxamide;N-[(3-methoxyphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-3-carboxamide;thiophene-3-carboxylic acid is sourced from PubChem (CID 159464342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).