N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide

C16H13Cl2NO2S — CID 19299392

IUPACN-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1cccc(SCC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H13Cl2NO2S/c1-10(20)19-12-3-2-4-13(8-12)22-9-16(21)14-6-5-11(17)7-15(14)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyILXZTEYZDWCQEX-UHFFFAOYSA-N
MW354.26 g/mol
LogP4.93
Rot. Bonds5

About N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide

N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 19299392) has the molecular formula C16H13Cl2NO2S and a molecular weight of 354.26 g/mol. Its IUPAC name is N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID19299392
Molecular FormulaC16H13Cl2NO2S
Molecular Weight354.26 g/mol
Exact Mass353.00
IUPAC NameN-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1cccc(SCC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H13Cl2NO2S/c1-10(20)19-12-3-2-4-13(8-12)22-9-16(21)14-6-5-11(17)7-15(14)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyILXZTEYZDWCQEX-UHFFFAOYSA-N
XLogP4.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 19299752
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 19299824
(E)-N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 19299446
2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18902162
N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
N-[(Z)-1-(4-chlorophenyl)-3-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19301139
N-[(Z)-3-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19301625
N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299409
N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 19299517
2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912590
2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912582
2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18902188

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide (CID 19299392) is N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide is CC(=O)Nc1cccc(SCC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is ILXZTEYZDWCQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2S/c1-10(20)19-12-3-2-4-13(8-12)22-9-16(21)14-6-5-11(17)7-15(14)18/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 354.26 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 19299392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).