2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide

C17H16Cl2N2O2S — CID 44639776

IUPAC2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide
SMILESCC(SCC(=O)Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-11(17(23)21-15-8-12(18)7-13(19)9-15)24-10-16(22)20-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyNUBLRKUZPQAELH-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.69
Rot. Bonds6

About 2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide

2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide (PubChem CID 44639776) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide
PubChem CID44639776
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide
SMILESCC(SCC(=O)Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-11(17(23)21-15-8-12(18)7-13(19)9-15)24-10-16(22)20-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyNUBLRKUZPQAELH-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 7731462
N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639868
(2R)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731528
(2S)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731527
methyl (2S)-2-(2-anilino-2-oxoethyl)sulfanylpropanoate
CID 124506827
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide
CID 82179923
(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 8762275
N-(2,5-dichlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639281
(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731710
N-(3,5-difluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 134061510
(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 1412115

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide (CID 44639776) is 2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide is CC(SCC(=O)Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is NUBLRKUZPQAELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-11(17(23)21-15-8-12(18)7-13(19)9-15)24-10-16(22)20-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide?
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 383.30 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)sulfanyl-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 44639776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).