(2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide

C13H13BrN2OS — CID 94192857

IUPAC(2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCc1cc(Br)cs1)c1ccccc1
InChIInChI=1S/C13H13BrN2OS/c14-10-6-11(18-8-10)7-16-12(13(15)17)9-4-2-1-3-5-9/h1-6,8,12,16H,7H2,(H2,15,17)/t12-/m0/s1
InChIKeyJXIXODNCNFAOHD-LBPRGKRZSA-N
MW325.23 g/mol
LogP2.83
Rot. Bonds5

About (2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide

(2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide (PubChem CID 94192857) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is (2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide
PubChem CID94192857
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name(2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCc1cc(Br)cs1)c1ccccc1
InChIInChI=1S/C13H13BrN2OS/c14-10-6-11(18-8-10)7-16-12(13(15)17)9-4-2-1-3-5-9/h1-6,8,12,16H,7H2,(H2,15,17)/t12-/m0/s1
InChIKeyJXIXODNCNFAOHD-LBPRGKRZSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide
CID 80552252
4-[(4-bromothiophen-2-yl)methylamino]-4-oxo-2-phenylbutanoic acid
CID 51121124
N-[(4-bromothiophen-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740502
N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 60794285
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995
(2R)-2-[(2-fluorophenyl)methylamino]-2-phenylacetamide
CID 33473493
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 66480373
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
(2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide
CID 95567469
(2R)-2-(3-bromophenyl)-2-[[(2S,3R)-2-phenyloxolan-3-yl]methylamino]acetamide
CID 129327629
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide (CID 94192857) is (2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide is NC(=O)[C@@H](NCc1cc(Br)cs1)c1ccccc1.
What is the InChIKey of (2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide?
The InChIKey is JXIXODNCNFAOHD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c14-10-6-11(18-8-10)7-16-12(13(15)17)9-4-2-1-3-5-9/h1-6,8,12,16H,7H2,(H2,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide?
(2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide has a molecular weight of 325.23 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide is sourced from PubChem (CID 94192857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).