N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

C14H15BrN2OS — CID 9054405

IUPACN-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(Br)c1)Cc1ccsc1
InChIInChI=1S/C14H15BrN2OS/c1-17(8-11-5-6-19-10-11)9-14(18)16-13-4-2-3-12(15)7-13/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeyIWZMZGWSDWBVRP-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.58
Rot. Bonds5

About N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 9054405) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
PubChem CID9054405
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC NameN-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(Br)c1)Cc1ccsc1
InChIInChI=1S/C14H15BrN2OS/c1-17(8-11-5-6-19-10-11)9-14(18)16-13-4-2-3-12(15)7-13/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeyIWZMZGWSDWBVRP-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide
CID 34598248
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054347
N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473952
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054511
2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
CID 43458595
methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
CID 60660384
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 8801611
N-(5-chloro-2-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054913
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (CID 9054405) is N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is CN(CC(=O)Nc1cccc(Br)c1)Cc1ccsc1.
What is the InChIKey of N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is IWZMZGWSDWBVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-17(8-11-5-6-19-10-11)9-14(18)16-13-4-2-3-12(15)7-13/h2-7,10H,8-9H2,1H3,(H,16,18).
What are the key properties of N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide has a molecular weight of 339.26 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 9054405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).