N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C17H22Cl2N4O2S — CID 2999353

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCC(c1nnc(SCC(=O)NCCc2ccc(Cl)cc2Cl)o1)N(C)C
InChIInChI=1S/C17H22Cl2N4O2S/c1-4-14(23(2)3)16-21-22-17(25-16)26-10-15(24)20-8-7-11-5-6-12(18)9-13(11)19/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,20,24)
InChIKeyAVLNBITYSNSDNT-UHFFFAOYSA-N
MW417.36 g/mol
LogP3.84
Rot. Bonds9

About N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2999353) has the molecular formula C17H22Cl2N4O2S and a molecular weight of 417.36 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2999353
Molecular FormulaC17H22Cl2N4O2S
Molecular Weight417.36 g/mol
Exact Mass416.08
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCC(c1nnc(SCC(=O)NCCc2ccc(Cl)cc2Cl)o1)N(C)C
InChIInChI=1S/C17H22Cl2N4O2S/c1-4-14(23(2)3)16-21-22-17(25-16)26-10-15(24)20-8-7-11-5-6-12(18)9-13(11)19/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,20,24)
InChIKeyAVLNBITYSNSDNT-UHFFFAOYSA-N
XLogP3.84
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2999353) is N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCC(c1nnc(SCC(=O)NCCc2ccc(Cl)cc2Cl)o1)N(C)C.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is AVLNBITYSNSDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O2S/c1-4-14(23(2)3)16-21-22-17(25-16)26-10-15(24)20-8-7-11-5-6-12(18)9-13(11)19/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 417.36 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2999353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).