2-[(4-bromothiophen-2-yl)methylamino]propanamide

C8H11BrN2OS — CID 43402392

IUPAC2-[(4-bromothiophen-2-yl)methylamino]propanamide
SMILESCC(NCc1cc(Br)cs1)C(N)=O
InChIInChI=1S/C8H11BrN2OS/c1-5(8(10)12)11-3-7-2-6(9)4-13-7/h2,4-5,11H,3H2,1H3,(H2,10,12)
InChIKeyVRBHLGKCDCEYDS-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.47
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methylamino]propanamide

2-[(4-bromothiophen-2-yl)methylamino]propanamide (PubChem CID 43402392) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]propanamide
PubChem CID43402392
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]propanamide
SMILESCC(NCc1cc(Br)cs1)C(N)=O
InChIInChI=1S/C8H11BrN2OS/c1-5(8(10)12)11-3-7-2-6(9)4-13-7/h2,4-5,11H,3H2,1H3,(H2,10,12)
InChIKeyVRBHLGKCDCEYDS-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromothiophen-2-yl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-Bromothiophen-2-yl)methyl-methylamino]propanamide
CID 45826392
N-(2-acetamidoethyl)-3-bromothiophene-2-carboxamide
CID 47038926
2-amino-N-(1-(thiophen-2-yl)ethyl)butanamide
CID 43649617
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
2-amino-N-[(thiophen-2-yl)methyl]butanamide hydrochloride
CID 121553626
2-(cyclopropylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 857060
N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide
CID 1439869
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 2113338
N1-methyl-N2-(thiophen-2-ylmethyl)oxalamide
CID 40805400
N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide
CID 134809038
2-(4-bromothiophen-2-yl)-2-(dimethylamino)-N-(2-sulfanylethyl)acetamide
CID 177680468
N-cyclohexyl-2-(2-thenylamino)propionamide;oxalic acid
CID 3226809

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]propanamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]propanamide (CID 43402392) is 2-[(4-bromothiophen-2-yl)methylamino]propanamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]propanamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]propanamide is CC(NCc1cc(Br)cs1)C(N)=O.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]propanamide?
The InChIKey is VRBHLGKCDCEYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-5(8(10)12)11-3-7-2-6(9)4-13-7/h2,4-5,11H,3H2,1H3,(H2,10,12).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]propanamide?
2-[(4-bromothiophen-2-yl)methylamino]propanamide has a molecular weight of 263.16 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylamino]propanamide is sourced from PubChem (CID 43402392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).