(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide

C16H18ClNOS2 — CID 8552521

IUPAC(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@@H](SCc1ccc(Cl)cc1)C(=O)NCCc1cccs1
InChIInChI=1S/C16H18ClNOS2/c1-12(21-11-13-4-6-14(17)7-5-13)16(19)18-9-8-15-3-2-10-20-15/h2-7,10,12H,8-9,11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyLRBZGKKJARVKAS-GFCCVEGCSA-N
MW339.91 g/mol
LogP4.38
Rot. Bonds7

About (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide

(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 8552521) has the molecular formula C16H18ClNOS2 and a molecular weight of 339.91 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID8552521
Molecular FormulaC16H18ClNOS2
Molecular Weight339.91 g/mol
Exact Mass339.05
IUPAC Name(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@@H](SCc1ccc(Cl)cc1)C(=O)NCCc1cccs1
InChIInChI=1S/C16H18ClNOS2/c1-12(21-11-13-4-6-14(17)7-5-13)16(19)18-9-8-15-3-2-10-20-15/h2-7,10,12H,8-9,11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyLRBZGKKJARVKAS-GFCCVEGCSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 8621528
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78807173
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 87033792
N-[(4-chlorophenyl)methyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24562919
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 75855709
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
2-[(4-chlorophenyl)methylsulfanyl]-N-(ethylcarbamoyl)propanamide
CID 16523768
N-[(4-chlorophenyl)methyl]-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46687326
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9034505
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529845
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide (CID 8552521) is (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide is C[C@@H](SCc1ccc(Cl)cc1)C(=O)NCCc1cccs1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is LRBZGKKJARVKAS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClNOS2/c1-12(21-11-13-4-6-14(17)7-5-13)16(19)18-9-8-15-3-2-10-20-15/h2-7,10,12H,8-9,11H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 339.91 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 8552521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).