2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C14H21BrN2OS — CID 71994874

IUPAC2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)N(C)CC1CCN(C)C1)c1ccc(Br)s1
InChIInChI=1S/C14H21BrN2OS/c1-10(12-4-5-13(15)19-12)14(18)17(3)9-11-6-7-16(2)8-11/h4-5,10-11H,6-9H2,1-3H3
InChIKeyPISPJYXFQMROOO-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.02
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 71994874) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID71994874
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)N(C)CC1CCN(C)C1)c1ccc(Br)s1
InChIInChI=1S/C14H21BrN2OS/c1-10(12-4-5-13(15)19-12)14(18)17(3)9-11-6-7-16(2)8-11/h4-5,10-11H,6-9H2,1-3H3
InChIKeyPISPJYXFQMROOO-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]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

(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
4,5-dibromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 78942000
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]butanoic acid
CID 115186041
3-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 115164653
4-[2-(5-bromothiophen-2-yl)propanoyl-methylamino]butanoic acid
CID 119173245
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 55172976
2-[1-[1-(5-bromothiophen-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606534
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 78929380
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide
CID 63273982

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 71994874) is 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is CC(C(=O)N(C)CC1CCN(C)C1)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is PISPJYXFQMROOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-10(12-4-5-13(15)19-12)14(18)17(3)9-11-6-7-16(2)8-11/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 345.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 71994874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).