N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide

C16H19ClN2OS — CID 51178868

IUPACN-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
SMILESCC(C(=O)NCc1ccccc1)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C16H19ClN2OS/c1-12(19(2)11-14-8-9-15(17)21-14)16(20)18-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)
InChIKeyZRDSWYUVSDXPJT-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.54
Rot. Bonds6

About N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide

N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide (PubChem CID 51178868) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
PubChem CID51178868
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC NameN-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
SMILESCC(C(=O)NCc1ccccc1)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C16H19ClN2OS/c1-12(19(2)11-14-8-9-15(17)21-14)16(20)18-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)
InChIKeyZRDSWYUVSDXPJT-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18093995
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 17478899
N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide
CID 55431922
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(ethylcarbamoyl)propanamide
CID 18087462
(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide
CID 95599579
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 43013000
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
CID 61441934
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772
2-[acetyl(methyl)amino]-N-benzylpropanamide
CID 10037012
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethylphenyl)propan-1-one
CID 63565949
2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094062
(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8787115

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
The IUPAC name of N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide (CID 51178868) is N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide.
What is the SMILES notation for N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
The canonical SMILES for N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide is CC(C(=O)NCc1ccccc1)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
The InChIKey is ZRDSWYUVSDXPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-12(19(2)11-14-8-9-15(17)21-14)16(20)18-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide has a molecular weight of 322.86 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide is sourced from PubChem (CID 51178868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).