4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide

C16H17BrN2O4S — CID 55742620

IUPAC4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2cc(Br)cs2)ccc1OCC(N)=O
InChIInChI=1S/C16H17BrN2O4S/c1-19(7-12-6-11(17)9-24-12)16(21)10-3-4-13(14(5-10)22-2)23-8-15(18)20/h3-6,9H,7-8H2,1-2H3,(H2,18,20)
InChIKeyGMGSLLDCRRZAMK-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.66
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide

4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide (PubChem CID 55742620) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide
PubChem CID55742620
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2cc(Br)cs2)ccc1OCC(N)=O
InChIInChI=1S/C16H17BrN2O4S/c1-19(7-12-6-11(17)9-24-12)16(21)10-3-4-13(14(5-10)22-2)23-8-15(18)20/h3-6,9H,7-8H2,1-2H3,(H2,18,20)
InChIKeyGMGSLLDCRRZAMK-UHFFFAOYSA-N
XLogP2.66
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide
CID 55742987
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 8529251
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 17431378
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
CID 47421884
3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide
CID 47042156
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107026057
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide (CID 55742620) is 4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2cc(Br)cs2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide?
The InChIKey is GMGSLLDCRRZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-19(7-12-6-11(17)9-24-12)16(21)10-3-4-13(14(5-10)22-2)23-8-15(18)20/h3-6,9H,7-8H2,1-2H3,(H2,18,20).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide?
4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide has a molecular weight of 413.29 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 55742620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).