N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide

C14H17ClN2OS2 — CID 47281346

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
SMILESCC(c1cccs1)N(C)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2OS2/c1-10(12-4-3-7-19-12)17(2)9-14(18)16-8-11-5-6-13(15)20-11/h3-7,10H,8-9H2,1-2H3,(H,16,18)
InChIKeyMTUPWRNEOLYIDT-UHFFFAOYSA-N
MW328.89 g/mol
LogP3.77
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide (PubChem CID 47281346) has the molecular formula C14H17ClN2OS2 and a molecular weight of 328.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
PubChem CID47281346
Molecular FormulaC14H17ClN2OS2
Molecular Weight328.89 g/mol
Exact Mass328.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
SMILESCC(c1cccs1)N(C)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2OS2/c1-10(12-4-3-7-19-12)17(2)9-14(18)16-8-11-5-6-13(15)20-11/h3-7,10H,8-9H2,1-2H3,(H,16,18)
InChIKeyMTUPWRNEOLYIDT-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide
CID 75381770
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 55569034
N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18124847
N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide
CID 124849999
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide
CID 18124910
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40741355
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
3-[(5-chlorothiophen-2-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 43727594

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide (CID 47281346) is N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide is CC(c1cccs1)N(C)CC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The InChIKey is MTUPWRNEOLYIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS2/c1-10(12-4-3-7-19-12)17(2)9-14(18)16-8-11-5-6-13(15)20-11/h3-7,10H,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide has a molecular weight of 328.89 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide is sourced from PubChem (CID 47281346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).