2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide

C16H18Cl2N2O2S — CID 78899137

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C16H18Cl2N2O2S/c1-20(9-11-7-12(17)3-5-14(11)22-2)10-16(21)19-8-13-4-6-15(18)23-13/h3-7H,8-10H2,1-2H3,(H,19,21)
InChIKeyCYENSYMPYNTLGM-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.81
Rot. Bonds7

About 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide (PubChem CID 78899137) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
PubChem CID78899137
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C16H18Cl2N2O2S/c1-20(9-11-7-12(17)3-5-14(11)22-2)10-16(21)19-8-13-4-6-15(18)23-13/h3-7H,8-10H2,1-2H3,(H,19,21)
InChIKeyCYENSYMPYNTLGM-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
CID 87018425
4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 9136923
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9136719
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 9136429
2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110767682
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9136541
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
2-(5-chloro-2-methoxyphenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 9069509
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 87014722
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9136479

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide (CID 78899137) is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide is COc1ccc(Cl)cc1CN(C)CC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The InChIKey is CYENSYMPYNTLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-20(9-11-7-12(17)3-5-14(11)22-2)10-16(21)19-8-13-4-6-15(18)23-13/h3-7H,8-10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide has a molecular weight of 373.31 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 78899137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).