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

C14H15BrN2OS — CID 129392791

IUPAC(2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(Cc1ccsc1)[C@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-17(8-10-5-6-19-9-10)13(14(16)18)11-3-2-4-12(15)7-11/h2-7,9,13H,8H2,1H3,(H2,16,18)/t13-/m0/s1
InChIKeyWZDQQLMREDKDFZ-ZDUSSCGKSA-N
MW339.26 g/mol
LogP3.17
Rot. Bonds5

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

(2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 129392791) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
PubChem CID129392791
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name(2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(Cc1ccsc1)[C@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-17(8-10-5-6-19-9-10)13(14(16)18)11-3-2-4-12(15)7-11/h2-7,9,13H,8H2,1H3,(H2,16,18)/t13-/m0/s1
InChIKeyWZDQQLMREDKDFZ-ZDUSSCGKSA-N
XLogP3.17
TPSA46.33 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 97331831
(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide
CID 124626246
(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide
CID 97329664
2-(3-fluorophenyl)-2-[methyl-[(4-phenylphenyl)methyl]amino]acetamide
CID 86886828
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054405
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302
methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 79407741
3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18117344
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
N-[(1S)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide
CID 97258344
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The IUPAC name of (2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (CID 129392791) is (2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for (2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is CN(Cc1ccsc1)[C@H](C(N)=O)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is WZDQQLMREDKDFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-17(8-10-5-6-19-9-10)13(14(16)18)11-3-2-4-12(15)7-11/h2-7,9,13H,8H2,1H3,(H2,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
(2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide has a molecular weight of 339.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 129392791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).