2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide

C12H17BrN2OS — CID 106047038

IUPAC2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide
SMILESO=C(CNCCc1ccc(Br)s1)NCC1CC1
InChIInChI=1S/C12H17BrN2OS/c13-11-4-3-10(17-11)5-6-14-8-12(16)15-7-9-1-2-9/h3-4,9,14H,1-2,5-8H2,(H,15,16)
InChIKeyYSGDQGSGEIRRLP-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.17
Rot. Bonds7

About 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide

2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide (PubChem CID 106047038) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide
PubChem CID106047038
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide
SMILESO=C(CNCCc1ccc(Br)s1)NCC1CC1
InChIInChI=1S/C12H17BrN2OS/c13-11-4-3-10(17-11)5-6-14-8-12(16)15-7-9-1-2-9/h3-4,9,14H,1-2,5-8H2,(H,15,16)
InChIKeyYSGDQGSGEIRRLP-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide
CID 119771084
2-(5-bromothiophen-2-yl)-N-[(4-tert-butylcyclohexyl)methyl]ethanamine
CID 106042535
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111863259
N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976875
2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone
CID 114140427
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103808336
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide
CID 106047194
N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide
CID 106046896
butyl 2-[2-(5-bromothiophen-2-yl)ethylamino]acetate
CID 106037206
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 113266074

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide (CID 106047038) is 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide is O=C(CNCCc1ccc(Br)s1)NCC1CC1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is YSGDQGSGEIRRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c13-11-4-3-10(17-11)5-6-14-8-12(16)15-7-9-1-2-9/h3-4,9,14H,1-2,5-8H2,(H,15,16).
What are the key properties of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide?
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 317.25 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 106047038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).