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

C9H12BrNO2S — CID 51082326

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C9H12BrNO2S/c1-11(9(12)5-13-2)4-8-3-7(10)6-14-8/h3,6H,4-5H2,1-2H3
InChIKeyKHBANVJOJANEDV-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.12
Rot. Bonds4

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

N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide (PubChem CID 51082326) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide
PubChem CID51082326
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C9H12BrNO2S/c1-11(9(12)5-13-2)4-8-3-7(10)6-14-8/h3,6H,4-5H2,1-2H3
InChIKeyKHBANVJOJANEDV-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl n-((4-bromothiophen-2-yl)methyl)-n-methylglycinate
CID 51081645
4-[(4-Bromothien-2-YL)methyl]morpholine
CID 783497
2-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 51074235
2-[(4-Bromothiophen-2-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 45826396
2,2,2-trifluoroethyl N-[(4-bromothiophen-2-yl)methyl]-N-methylcarbamate
CID 61068484
N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 61571648
2,2,2-trifluoro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 62490773
N-[(4-bromothiophen-2-yl)methyl]-4,4,4-trifluoro-N-methylbutanamide
CID 65711560
N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990373
N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990441
N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide
CID 103513831
2,2-difluoro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 103514732

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide (CID 51082326) is N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide?
The InChIKey is KHBANVJOJANEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-11(9(12)5-13-2)4-8-3-7(10)6-14-8/h3,6H,4-5H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide has a molecular weight of 278.17 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 51082326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).