N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C18H17ClN2O2S2 — CID 32761494

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C18H17ClN2O2S2/c1-21(9-13-7-14(19)3-4-16(13)23-2)17(22)8-15-11-25-18(20-15)12-5-6-24-10-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyKSDGEBIVHISJMA-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.73
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 32761494) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID32761494
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C18H17ClN2O2S2/c1-21(9-13-7-14(19)3-4-16(13)23-2)17(22)8-15-11-25-18(20-15)12-5-6-24-10-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyKSDGEBIVHISJMA-UHFFFAOYSA-N
XLogP4.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 33163824
N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41437625
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 42951802
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55332279
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CID 55406349
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 38041240
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 25333543
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130290
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9138977
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130660
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 32761494) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is COc1ccc(Cl)cc1CN(C)C(=O)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KSDGEBIVHISJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c1-21(9-13-7-14(19)3-4-16(13)23-2)17(22)8-15-11-25-18(20-15)12-5-6-24-10-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 392.93 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 32761494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).