2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide

C18H20ClNO3S — CID 112781383

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CSc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C18H20ClNO3S/c1-20(11-13-4-7-15(22-2)10-17(13)23-3)18(21)12-24-16-8-5-14(19)6-9-16/h4-10H,11-12H2,1-3H3
InChIKeyYGXNZWMHGGHABS-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.11
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide

2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 112781383) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID112781383
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CSc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C18H20ClNO3S/c1-20(11-13-4-7-15(22-2)10-17(13)23-3)18(21)12-24-16-8-5-14(19)6-9-16/h4-10H,11-12H2,1-3H3
InChIKeyYGXNZWMHGGHABS-UHFFFAOYSA-N
XLogP4.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 78760669
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51099203
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 43909023
2-(3,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 36999617
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 50874883
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide
CID 4850947

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide (CID 112781383) is 2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CSc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is YGXNZWMHGGHABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-20(11-13-4-7-15(22-2)10-17(13)23-3)18(21)12-24-16-8-5-14(19)6-9-16/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 365.88 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112781383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).