N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide

C15H17ClN2OS — CID 18124847

IUPACN-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
SMILESCC(c1cccs1)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2OS/c1-11(14-4-3-9-20-14)18(2)10-15(19)17-13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyYNESAOHWVOFBFU-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.03
Rot. Bonds5

About N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide

N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide (PubChem CID 18124847) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
PubChem CID18124847
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
SMILESCC(c1cccs1)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2OS/c1-11(14-4-3-9-20-14)18(2)10-15(19)17-13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyYNESAOHWVOFBFU-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18127362
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 40809350
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 51281899
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 47281346
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide (CID 18124847) is N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide is CC(c1cccs1)N(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The InChIKey is YNESAOHWVOFBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-11(14-4-3-9-20-14)18(2)10-15(19)17-13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide has a molecular weight of 308.83 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide is sourced from PubChem (CID 18124847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).