N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide

C16H22Cl2N2O2S — CID 112792453

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide
SMILESCCN(CC)C(=O)CSCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O2S/c1-4-20(5-2)16(22)11-23-10-15(21)19(3)9-12-6-7-13(17)14(18)8-12/h6-8H,4-5,9-11H2,1-3H3
InChIKeyMGANGDNTYHWZDE-UHFFFAOYSA-N
MW377.34 g/mol
LogP3.55
Rot. Bonds8

About N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide

N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide (PubChem CID 112792453) has the molecular formula C16H22Cl2N2O2S and a molecular weight of 377.34 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide
PubChem CID112792453
Molecular FormulaC16H22Cl2N2O2S
Molecular Weight377.34 g/mol
Exact Mass376.08
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide
SMILESCCN(CC)C(=O)CSCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O2S/c1-4-20(5-2)16(22)11-23-10-15(21)19(3)9-12-6-7-13(17)14(18)8-12/h6-8H,4-5,9-11H2,1-3H3
InChIKeyMGANGDNTYHWZDE-UHFFFAOYSA-N
XLogP3.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 8806601
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
N-[(3,4-dichlorophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 86990999
2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772570
N-[(3,4-dichlorophenyl)methyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 27987631
N-[(3,4-dichlorophenyl)methyl]-2-[[(2S)-4-ethylsulfanylbutan-2-yl]-methylamino]-N-methylacetamide
CID 95783880
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
N-[(3,4-dichlorophenyl)methyl]-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 8649354
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide (CID 112792453) is N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide is CCN(CC)C(=O)CSCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide?
The InChIKey is MGANGDNTYHWZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2S/c1-4-20(5-2)16(22)11-23-10-15(21)19(3)9-12-6-7-13(17)14(18)8-12/h6-8H,4-5,9-11H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide?
N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide has a molecular weight of 377.34 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 112792453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).