3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

C13H13BrN2O2S — CID 66744013

IUPAC3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(Br)cc2N)cc1
InChIInChI=1S/C13H13BrN2O2S/c1-18-9-4-2-8(3-5-9)7-16-13(17)12-10(15)6-11(14)19-12/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyCVPUUERMBVDYMT-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 66744013) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID66744013
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(Br)cc2N)cc1
InChIInChI=1S/C13H13BrN2O2S/c1-18-9-4-2-8(3-5-9)7-16-13(17)12-10(15)6-11(14)19-12/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyCVPUUERMBVDYMT-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668197
2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071437
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 114332211
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 66744013) is 3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccc(CNC(=O)c2sc(Br)cc2N)cc1.
What is the InChIKey of 3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is CVPUUERMBVDYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-18-9-4-2-8(3-5-9)7-16-13(17)12-10(15)6-11(14)19-12/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 341.23 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 66744013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).