(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

C15H15Cl2NOS2 — CID 8621528

IUPAC(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@H](Sc1c(Cl)cccc1Cl)C(=O)NCCc1cccs1
InChIInChI=1S/C15H15Cl2NOS2/c1-10(21-14-12(16)5-2-6-13(14)17)15(19)18-8-7-11-4-3-9-20-11/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyXJPWVGLXHVYYCX-JTQLQIEISA-N
MW360.33 g/mol
LogP4.89
Rot. Bonds6

About (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 8621528) has the molecular formula C15H15Cl2NOS2 and a molecular weight of 360.33 g/mol. Its IUPAC name is (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID8621528
Molecular FormulaC15H15Cl2NOS2
Molecular Weight360.33 g/mol
Exact Mass359.00
IUPAC Name(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@H](Sc1c(Cl)cccc1Cl)C(=O)NCCc1cccs1
InChIInChI=1S/C15H15Cl2NOS2/c1-10(21-14-12(16)5-2-6-13(14)17)15(19)18-8-7-11-4-3-9-20-11/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyXJPWVGLXHVYYCX-JTQLQIEISA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8552521
(2R)-2-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 125142463
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 75855709
2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
CID 47115195
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 87033792
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 8799080
(2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 9028505
5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459215
N-[(4-chlorophenyl)methyl]-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46687326
2-methyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111350666
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
N-[(4-chlorophenyl)methyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24562919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (CID 8621528) is (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is C[C@H](Sc1c(Cl)cccc1Cl)C(=O)NCCc1cccs1.
What is the InChIKey of (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is XJPWVGLXHVYYCX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15Cl2NOS2/c1-10(21-14-12(16)5-2-6-13(14)17)15(19)18-8-7-11-4-3-9-20-11/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 360.33 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 8621528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).