N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C14H14BrN5O2S2 — CID 43037161

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C14H14BrN5O2S2/c1-2-18(8-10-5-6-11(15)24-10)12(21)9-19-14(22)20(17-16-19)13-4-3-7-23-13/h3-7H,2,8-9H2,1H3
InChIKeyNZXISHNVYFSFLN-UHFFFAOYSA-N
MW428.34 g/mol
LogP2.36
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 43037161) has the molecular formula C14H14BrN5O2S2 and a molecular weight of 428.34 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID43037161
Molecular FormulaC14H14BrN5O2S2
Molecular Weight428.34 g/mol
Exact Mass426.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C14H14BrN5O2S2/c1-2-18(8-10-5-6-11(15)24-10)12(21)9-19-14(22)20(17-16-19)13-4-3-7-23-13/h3-7H,2,8-9H2,1H3
InChIKeyNZXISHNVYFSFLN-UHFFFAOYSA-N
XLogP2.36
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 61114497
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one
CID 17452027
N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131426
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24562007
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 43037168
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114964
2-(3-aminopropylsulfanyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66218074
1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one
CID 94054001
5-[(5-bromothiophen-2-yl)methyl-ethylamino]-5-oxopentanoic acid
CID 54874919
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
CID 60654918
3-(4-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]anilino)propanamide
CID 43037177
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 43037161) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CCN(Cc1ccc(Br)s1)C(=O)Cn1nnn(-c2cccs2)c1=O.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is NZXISHNVYFSFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O2S2/c1-2-18(8-10-5-6-11(15)24-10)12(21)9-19-14(22)20(17-16-19)13-4-3-7-23-13/h3-7H,2,8-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 428.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 43037161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).