N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide

C13H20ClN3OS — CID 107423836

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CNC1(C)CCNC1
InChIInChI=1S/C13H20ClN3OS/c1-13(5-6-15-9-13)16-7-12(18)17(2)8-10-3-4-11(14)19-10/h3-4,15-16H,5-9H2,1-2H3
InChIKeyUGZMVQROMRVRDE-UHFFFAOYSA-N
MW301.84 g/mol
LogP1.70
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide (PubChem CID 107423836) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
PubChem CID107423836
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CNC1(C)CCNC1
InChIInChI=1S/C13H20ClN3OS/c1-13(5-6-15-9-13)16-7-12(18)17(2)8-10-3-4-11(14)19-10/h3-4,15-16H,5-9H2,1-2H3
InChIKeyUGZMVQROMRVRDE-UHFFFAOYSA-N
XLogP1.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81166939
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride
CID 119933422
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 55252348
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62675072
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456
N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
CID 55165548

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide (CID 107423836) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide is CN(Cc1ccc(Cl)s1)C(=O)CNC1(C)CCNC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The InChIKey is UGZMVQROMRVRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-13(5-6-15-9-13)16-7-12(18)17(2)8-10-3-4-11(14)19-10/h3-4,15-16H,5-9H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide has a molecular weight of 301.84 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 107423836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).