N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide

C15H16BrNO4S — CID 32775718

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(Br)s2)c(OC)c1OC
InChIInChI=1S/C15H16BrNO4S/c1-19-11-6-5-10(13(20-2)14(11)21-3)15(18)17-8-9-4-7-12(16)22-9/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyNFMIPYYMPGBRSG-UHFFFAOYSA-N
MW386.27 g/mol
LogP3.47
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide

N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide (PubChem CID 32775718) has the molecular formula C15H16BrNO4S and a molecular weight of 386.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide
PubChem CID32775718
Molecular FormulaC15H16BrNO4S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(Br)s2)c(OC)c1OC
InChIInChI=1S/C15H16BrNO4S/c1-19-11-6-5-10(13(20-2)14(11)21-3)15(18)17-8-9-4-7-12(16)22-9/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyNFMIPYYMPGBRSG-UHFFFAOYSA-N
XLogP3.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
CID 80979726
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 32775638
2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
CID 61068031
N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 32773874
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 55594760
N-[(5-bromothiophen-2-yl)methyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 33171938
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide (CID 32775718) is N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NCc2ccc(Br)s2)c(OC)c1OC.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide?
The InChIKey is NFMIPYYMPGBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S/c1-19-11-6-5-10(13(20-2)14(11)21-3)15(18)17-8-9-4-7-12(16)22-9/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide?
N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide has a molecular weight of 386.27 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 32775718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).