N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide

C14H14BrNO3S — CID 60784042

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cc(Br)cs2)c(O)c1
InChIInChI=1S/C14H14BrNO3S/c1-16(7-11-5-9(15)8-20-11)14(18)12-4-3-10(19-2)6-13(12)17/h3-6,8,17H,7H2,1-2H3
InChIKeyBMWVRPOTTHADIZ-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.50
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide

N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide (PubChem CID 60784042) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
PubChem CID60784042
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cc(Br)cs2)c(O)c1
InChIInChI=1S/C14H14BrNO3S/c1-16(7-11-5-9(15)8-20-11)14(18)12-4-3-10(19-2)6-13(12)17/h3-6,8,17H,7H2,1-2H3
InChIKeyBMWVRPOTTHADIZ-UHFFFAOYSA-N
XLogP3.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 47042136
4-bromo-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 47435985
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
2-hydroxy-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565722
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 47222468
2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 38254330
methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
CID 60715393
2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113218973

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide (CID 60784042) is N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2cc(Br)cs2)c(O)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide?
The InChIKey is BMWVRPOTTHADIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-16(7-11-5-9(15)8-20-11)14(18)12-4-3-10(19-2)6-13(12)17/h3-6,8,17H,7H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide?
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide has a molecular weight of 356.24 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 60784042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).