2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide

C10H14BrN3O2S — CID 47364291

IUPAC2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C10H14BrN3O2S/c1-14(4-9(12)15)5-10(16)13-3-8-2-7(11)6-17-8/h2,6H,3-5H2,1H3,(H2,12,15)(H,13,16)
InChIKeyHTRABDDSQQOGHE-UHFFFAOYSA-N
MW320.21 g/mol
LogP0.54
Rot. Bonds6

About 2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide

2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 47364291) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide
PubChem CID47364291
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C10H14BrN3O2S/c1-14(4-9(12)15)5-10(16)13-3-8-2-7(11)6-17-8/h2,6H,3-5H2,1H3,(H2,12,15)(H,13,16)
InChIKeyHTRABDDSQQOGHE-UHFFFAOYSA-N
XLogP0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Acetyl-4-[(5-bromo-2-thienyl)methyl]piperazine
CID 743462
tridecyl-Gly-N(BuNH2)Gly-N(thien-2-ylmethyl)Gly-NH2
CID 145990085
JUA-UNI-bc099708-3
CID 154706726
3-[(4-Bromothiophen-2-yl)methyl-methylamino]propanamide
CID 45826392
N-(2-acetamidoethyl)-3-bromothiophene-2-carboxamide
CID 47038926
N-[(4-bromothiophen-2-yl)methyl]-4-methyl-1,4-diazepane-1-carboxamide
CID 53504946
1-(Thiophen-2-ylmethyl) piperazine-2,6 dione
CID 66061669
tridecyl-Gly-N(EtNH2)Gly-N(thien-2-ylmethyl)Gly-NH2
CID 145982489
N-(6-aminohexyl)-N-[2-[(2-amino-2-oxoethyl)-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-(tridecylamino)acetamide
CID 145990054
(E,E)-farnesyl-Gly-N(BuNH2)Gly-N(thien-2-ylmethyl)Gly-NH2
CID 145991644
4-[[2-[(2-Amino-2-oxoethyl)-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[2-(tridecylamino)acetyl]amino]butyl-trimethylazanium
CID 145992147
tridecyl-Gly-N(PrNH2)Gly-N(thien-2-ylmethyl)Gly-NH2
CID 145992292

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide (CID 47364291) is 2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide is CN(CC(N)=O)CC(=O)NCc1cc(Br)cs1.
What is the InChIKey of 2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is HTRABDDSQQOGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-14(4-9(12)15)5-10(16)13-3-8-2-7(11)6-17-8/h2,6H,3-5H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide?
2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 320.21 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 47364291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).