2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide

C15H17BrN2OS — CID 60937692

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C(N)c1ccccc1
InChIInChI=1S/C15H17BrN2OS/c1-2-18(10-12-8-9-13(16)20-12)15(19)14(17)11-6-4-3-5-7-11/h3-9,14H,2,10,17H2,1H3
InChIKeySRGHSMNMZYJFKZ-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.56
Rot. Bonds5

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide

2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide (PubChem CID 60937692) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
PubChem CID60937692
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C(N)c1ccccc1
InChIInChI=1S/C15H17BrN2OS/c1-2-18(10-12-8-9-13(16)20-12)15(19)14(17)11-6-4-3-5-7-11/h3-9,14H,2,10,17H2,1H3
InChIKeySRGHSMNMZYJFKZ-UHFFFAOYSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938199
4-[(5-bromothiophen-2-yl)methyl-ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497542
(2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 93367998
N-[(5-bromothiophen-2-yl)methyl]-3-(carbamoylamino)-N-ethyl-3-phenylpropanamide
CID 42938478
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methoxypropanamide
CID 81082576
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide
CID 79195708
2-(2-aminopropylsulfanyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66220672
5-[(5-bromothiophen-2-yl)methyl-ethylamino]-5-oxopentanoic acid
CID 54874919
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
2-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethoxy]acetic acid
CID 61328257
2-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838307
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide (CID 60937692) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide is CCN(Cc1ccc(Br)s1)C(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide?
The InChIKey is SRGHSMNMZYJFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-2-18(10-12-8-9-13(16)20-12)15(19)14(17)11-6-4-3-5-7-11/h3-9,14H,2,10,17H2,1H3.
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide has a molecular weight of 353.29 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide is sourced from PubChem (CID 60937692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).